SCHEMBL8996705

SCHEMBL8996705

CCc1cccc(N2CCNC2=N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
MGLL Q99685 1/20 0.43
NISCH Q9Y2I1 1/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTR7 P34969 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL8996661 0.89 ALOX5 (0.38) ALOX5MGLLNISCHMEN1KMT2A
SCHEMBL6160288 0.79 SIGMAR1 (0.52) ALOX5MGLLNISCHKDM4EALDH1A1
SCHEMBL6160283 0.76 ALOX5 (0.40) ALOX5MGLLNISCHMEN1POLB
SCHEMBL24709283 0.75 SIGMAR1 (0.54) ALOX5MEN1POLBKMT2AHTR7
Bromide SCHEMBL31141400 0.73 SIGMAR1 (0.52) ALOX5MEN1POLBKMT2AHTR7
SCHEMBL301359 0.71 ADRB1 (0.62) CYP2C9CYP2C19HTR7CYP1A2CYP3A4
SCHEMBL9645445 0.71 ALOX5 (0.68) ALOX5
SCHEMBL10417046 0.71 ALOX5 (0.56) ALOX5MGLL
Hydrochloric Acid SCHEMBL11552421 0.70 ADRB1 (0.60) CYP2C9CYP2C19HTR7CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9742661 0.70 ADRB1 (0.60) CYP2C9CYP2C19HTR7CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574070-A 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 ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-11-12 US disclosed
EP-0532642-A4 1994-04-27 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-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