SCHEMBL6970730

SCHEMBL6970730

Nc1ccc2c(c1)CCN(C(=O)Cc1ccc(F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H2 P55055 1/20 0.45
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
MOGAT2 Q3SYC2 1/20 0.44
MAPT P10636 1/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
PDE4B Q07343 1/20 0.42

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
SCHEMBL6965569 0.88 NPC1 (0.53) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6974709 0.85 NPC1 (0.57) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6965875 0.83 ALDH1A1 (0.52) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6968137 0.82 NPC1 (0.53) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6974651 0.81 CYP1A2 (0.47) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6641785 0.80 NPC1 (0.50) NPC1RAB9AKMT2AABCB1ABCC1
SCHEMBL6962490 0.80 KMT2A (0.56) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL6966787 0.79 KMT2A (0.60) NPC1RAB9AKMT2AMEN1NR1H2
SCHEMBL6968803 0.78 KMT2A (0.58) NPC1KMT2AABCB1ABCC1MEN1
SCHEMBL6973588 0.77 DPP8 (0.51) NPC1RAB9AKMT2AABCB1ABCC1

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
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 claimed
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