SCHEMBL8996663

SCHEMBL8996663

N=C(Nc1cccc2c1CCC2)Nc1cccc2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
LMNA P02545 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL6857068 0.96 ALDH1A1 (0.58) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL6719089 0.89 MEN1 (0.49) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL6719061 0.89 ALDH1A1 (0.48) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL9293166 0.86 SIGMAR1 (0.61) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL6720727 0.85 LMNA (0.54) SIGMAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6716539 0.85 ALDH1A1 (0.46) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL6717182 0.84 NPC1 (0.50) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL4518125 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL17894510 0.82 SIGMAR1 (0.61) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D
SCHEMBL6720747 0.81 ALDH1A1 (0.47) SIGMAR1ALDH1A1MEN1KMT2AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532642-A4 1994-04-27 EP claimed
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 claimed
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 claimed
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