SCHEMBL6973354

SCHEMBL6973354

COc1cccc(CC(=O)N2CCc3cc(N)ccc3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
SIGMAR1 Q99720 2/20 0.54
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53
BRS3 P32247 1/20 0.53
MEN1 O00255 1/20 0.50
MGAT3 Q09327 5/20 0.49
DGAT1 O75907 1/20 0.49
MGAT2 Q10469 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL1264391 0.84 KMT2A (0.54) KMT2ANPC1SIGMAR1ABCB1ABCC1
SCHEMBL6962490 0.83 KMT2A (0.56) KMT2ANPC1MEN1RAB9ANR1H2
SCHEMBL6968803 0.81 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1MEN1
SCHEMBL6968137 0.81 NPC1 (0.53) KMT2ANPC1ABCB1ABCC1MEN1
SCHEMBL6966787 0.80 KMT2A (0.60) KMT2ANPC1SIGMAR1BRS3MEN1
SCHEMBL6971135 0.78 SIGMAR1 (0.66) KMT2ASIGMAR1ABCB1ABCC1TAAR1
SCHEMBL6974709 0.77 NPC1 (0.57) KMT2ANPC1ABCB1ABCC1MEN1
SCHEMBL6970730 0.77 NPC1 (0.53) KMT2ANPC1ABCB1ABCC1MEN1
SCHEMBL6965569 0.77 NPC1 (0.53) KMT2ANPC1ABCB1ABCC1MEN1
SCHEMBL11455526 0.76 KMT2A (0.66) KMT2ANPC1SIGMAR1ABCB1ABCC1

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 2 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