SCHEMBL6967844

SCHEMBL6967844

Cc1cccc(CC(=O)C2NCCc3cc(N)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ TBXA2R P21731 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ CTBP2 P56545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ TAAR1 Q96RJ0 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
SCHEMBL6968049 0.88 TSHR (0.47) OPRM1TBXA2RTSHRNPSR1
SCHEMBL8471637 0.86 OPRM1 (0.42) OPRM1OPRK1TBXA2RTSHRNPSR1
SCHEMBL8472080 0.84 KDM1A (0.47) POLBTBXA2RGRM2GRM3KCNQ2
SCHEMBL6966660 0.82 TSHR (0.40) OPRM1OPRK1TBXA2RTSHRNPSR1
SCHEMBL8470780 0.81 TBXA2R (0.42) OPRM1OPRK1TBXA2RTSHRNPSR1
SCHEMBL8473162 0.81 TBXA2R (0.42) OPRM1OPRK1TBXA2RTSHRNPSR1
SCHEMBL8472702 0.78 TBXA2R (0.50) POLBTBXA2RALDH1A1
SCHEMBL6969520 0.77 TBXA2R (0.39) OPRM1TBXA2RTSHRNPSR1
SCHEMBL6967406 0.76 TSHR (0.42) TBXA2RTSHRNPSR1
SCHEMBL6973757 0.76 TBXA2R (0.40) TBXA2RTSHRNPSR1

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
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