SCHEMBL9083146

SCHEMBL9083146

Cc1ccccc1CN(Cc1ccccc1C)C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.47
GRIN3B O60391 7/20 0.47
GRIN1 Q05586 7/20 0.47
GRIN2A Q12879 7/20 0.47
GRIN2B Q13224 7/20 0.47
GRIN2C Q14957 7/20 0.47
GRIN3A Q8TCU5 7/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.36
TAS2R14 Q9NYV8 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
SCHEMBL17710493 0.84 MAPT (0.43) TAAR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL17887866 0.83 HSP90AA1 (0.48) TAAR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL23996021 0.75 TAAR1 (0.39) TAAR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL5358822 0.74 TAS2R14 (0.49) KMT2AMEN1HSP90AA1TAS2R14
SCHEMBL25378028 0.74 TSHR (0.44) TAAR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL5792021 0.74 TAAR1 (0.48) TAAR1MAPTKMT2AMEN1
SCHEMBL10477332 0.73 MAPT (0.47) TAAR1MAPTKMT2AMEN1HSP90AA1
Hydrochloric Acid SCHEMBL216730 0.72 TAAR1 (0.47) TAAR1MAPTKMT2AMEN1
SCHEMBL189440 0.72 MAPT (0.60) TAAR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL1273845 0.71 GRIN2D (0.81) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502255-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS AND AS ANTIDEPRESSANTS 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) 1996-03-26 US claimed
US-5312840-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 (US) 1994-05-17 US claimed
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