SCHEMBL6969257

SCHEMBL6969257

CSc1ccc(CN2CCc3c[c]ccc3C2C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
TNF P01375 2/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL6962637 0.88 GAA (0.39) MEN1KMT2ATNFNOD2NOD1
SCHEMBL6966047 0.86 ESR1 (0.37) SMN1; SMN2MEN1KMT2AGAASIGMAR1
SCHEMBL6969207 0.86 SIRT2 (0.39) SMN1; SMN2RAB9ATNFNOD2NOD1
SCHEMBL6968420 0.86 ALDH1A1 (0.44) KDM4ETNFNOD2NOD1MAPT
SCHEMBL6966889 0.86 HDAC3 (0.38) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL6973731 0.86 ACACB (0.40) SMN1; SMN2MEN1KMT2AALDH1A1DRD2
SCHEMBL6966740 0.85 HDAC1 (0.39) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL6972428 0.84 DRD2 (0.35) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL6971776 0.84 MCHR1 (0.35) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6974751 0.84 GRM5 (0.40) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1

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 4 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
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