SCHEMBL6961872

SCHEMBL6961872

NC(=O)C1c2cc[c]cc2CCN1Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MCHR1 Q99705 5/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
MMP13 P45452 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CCR4 P51679 1/20 0.37
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36

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
SCHEMBL6966047 0.87 ESR1 (0.37) KMT2AMEN1SIGMAR1
SCHEMBL6966740 0.85 HDAC1 (0.39) KMT2AMEN1MMP13SIGMAR1
SCHEMBL6962328 0.84 MGLL (0.38) KMT2A
SCHEMBL6974751 0.84 GRM5 (0.40) KMT2AMEN1MCHR1SIGMAR1
SCHEMBL6965834 0.84 ESR1 (0.39) SIGMAR1
SCHEMBL6960589 0.84 KMT2A (0.45) KMT2AMEN1
SCHEMBL6968134 0.84 UTS2R (0.40) KMT2AMEN1MC4RMC5RSIGMAR1
SCHEMBL6962637 0.84 GAA (0.39) KMT2AMEN1
SCHEMBL6974425 0.83 GBA1 (0.39) KMT2AMEN1
SCHEMBL6972456 0.83 KDM4E (0.40) KMT2AMEN1SIGMAR1

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
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO disclosed