SCHEMBL1238995

SCHEMBL1238995

NC(N)=NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.57
AR P10275 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
LMNA P02545 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT6 P42226 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19038543 0.81 SIGMAR1 (0.50) SIGMAR1ARKCNH2NPFFR1NPFFR2
SCHEMBL6681643 0.78 SIGMAR1 (0.52) SIGMAR1ARKCNH2NPFFR1NPFFR2
SCHEMBL3078856 0.75 SIGMAR1 (0.35) SIGMAR1
SCHEMBL8397286 0.75 SIGMAR1 (0.63) SIGMAR1ARKCNH2GRIN2DGRIN3B
SCHEMBL6156054 0.73 SIGMAR1 (1.00) SIGMAR1ARKCNH2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6158171 0.72 SIGMAR1 (1.00) SIGMAR1ARKCNH2GRIN2DGRIN3B
SCHEMBL2479820 0.69 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873221 0.68 SIGMAR1 (0.54) SIGMAR1ARKCNH2GRIN2DGRIN3B
SCHEMBL31254406 0.67 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2915914 0.67 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473671-A4 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS 1992-04-01 EP claimed
EP-0473671-A1 USE OF SIGMA-RECEPTORS LIGANDS FOR THE MANUFACTURE OF AN ANXIOLYTIC AGENT. OREGON STATE (US) 1992-03-11 EP claimed
WO-1990014067-A2 METHODS FOR TREATING ANXIETY WITH SIGMA RECEPTOR LIGANDS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1990-11-29 WO claimed
CN-101263256-B Amphoteric stilbene composition HEWLETT PACKARD DEVELOPMENT CO 2011-07-06 CN disclosed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 WO disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789917-B2 Amphoteric stilbene composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-09-07 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-20080290320-A1 AMPHOTERIC STILBENE COMPOSITION IU KAI KONG 2008-11-27 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0532642-A4 1994-04-27 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO disclosed