SCHEMBL6972428

SCHEMBL6972428

NC(=O)C1c2cc[c]cc2CCN1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
GBA1 P04062 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
RORC P51449 3/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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 0.88 ESR1 (0.37) KMT2APARP1MEN1SIGMAR1
SCHEMBL6962637 0.87 GAA (0.39) DRD2ALDH1A1KMT2AMEN1
SCHEMBL6972847 0.87 KDM4E (0.42) DRD2HCRTR1HCRTR2ALDH1A1PARP1
SCHEMBL6966200 0.85 PPARG (0.35) DRD2SIGMAR1
SCHEMBL6966740 0.84 HDAC1 (0.39) DRD2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6969257 0.84 SMN1; SMN2 (0.39) DRD2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6970691 0.84 KDM4E (0.32) KDM4E
SCHEMBL6966889 0.84 HDAC3 (0.38) DRD2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6968420 0.84 ALDH1A1 (0.44) ALDH1A1PARP1KDM4ERORCMAPT
SCHEMBL6973731 0.84 ACACB (0.40) DRD2ALDH1A1KMT2AMEN1CYP2D6

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