SCHEMBL6958115

SCHEMBL6958115

CCCCCCCCC=CCCCCCCCC(=O)N1CCc2c[c]ccc2C1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SOAT1 P35610 2/20 0.39
FAAH O00519 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1B P49286 2/20 0.39
TRPV1 Q8NER1 1/20 0.36
CNR1 P21554 5/20 0.36
CNR2 P34972 2/20 0.36
ACE P12821 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
SCHEMBL6974328 1.00 KDM4E (0.39) KDM4ESOAT1FAAHMEN1TP53
SCHEMBL6962032 0.94 MTNR1B (0.42) TP53MTNR1BACE
SCHEMBL6970287 0.94 MTNR1B (0.42) TP53MTNR1BACE
SCHEMBL6961228 0.93 MTNR1B (0.41) TP53MTNR1BACE
SCHEMBL6973916 0.90 TP53 (0.41) TP53MTNR1BACE
SCHEMBL6973366 0.86 ACE (0.41) KDM4ETP53MTNR1BACE
SCHEMBL6961352 0.81 ACE (0.40) KDM4EMEN1TP53KMT2AMTNR1B
SCHEMBL22494094 0.77 ACE (0.61) SOAT1FAAHMTNR1BCNR1CNR2
SCHEMBL6972676 0.76 ACE (0.36) MTNR1BACE
SCHEMBL6960911 0.76 ACE (0.36) ACE

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