SCHEMBL6963127

SCHEMBL6963127

NC(=O)C1c2cc[c]cc2CCN1CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.35
PARP1 P09874 3/20 0.34
KCNH2 Q12809 1/20 0.34
ENPP2 Q13822 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
CCR1 P32246 3/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL4514757 0.94 OPRK1 (0.32) OPRM1OPRD1
Hydrochloric Acid SCHEMBL4504167 0.93 OPRK1 (0.32) OPRM1OPRD1HRH3
SCHEMBL6974686 0.84 KDM4E (0.38) PARP1
SCHEMBL6969731 0.81 KCNH2 (0.39) F2RL1KCNH2
SCHEMBL6961084 0.79 PRCP (0.39)
SCHEMBL6966047 0.78 ESR1 (0.37) PARP1KCNH2HDAC3HDAC8NCOR2
SCHEMBL6969807 0.78 KEAP1 (0.42) F2RL1PARP1
SCHEMBL14775460 0.77 OPRM1 (0.36) PARP1OPRM1HDAC8
SCHEMBL6962637 0.77 GAA (0.39) HDAC8
SCHEMBL6970691 0.76 KDM4E (0.32) F2RL1HDAC8

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