SCHEMBL6973484

SCHEMBL6973484

Nc1ccc2c(c1)CCN(C(=O)Cc1cccs1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
NR1H2 P55055 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAM17 P78536 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6969205 0.79 GAA (0.65) POLBRAB9ANPC1ALDH1A1MAPT
SCHEMBL6974651 0.79 CYP1A2 (0.47) POLBRAB9ANPC1NR1H2MEN1
SCHEMBL6974709 0.76 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTNR1H2
SCHEMBL6973623 0.76 ALDH1A1 (0.63) HTTKDM4EALDH1A1HSD17B10CASP1
SCHEMBL6970730 0.76 NPC1 (0.53) POLBRAB9ANPC1ALDH1A1MAPT
SCHEMBL6965569 0.76 NPC1 (0.53) RAB9ANPC1ALDH1A1LMNANR1H2
SCHEMBL6968137 0.75 NPC1 (0.53) RAB9ANPC1ALDH1A1HSD17B10MAPT
SCHEMBL6961377 0.75 KDM4E (0.53) HTTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL9852572 0.75 ME2 (0.53) POLBRAB9ANPC1PKMALDH1A1
SCHEMBL6962490 0.75 KMT2A (0.56) POLBRAB9ANPC1LMNAHPGD

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 claimed
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 claimed
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 claimed
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