SCHEMBL6969709

SCHEMBL6969709

Cc1cccc(C(=O)N2CCc3cc(N)ccc3C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
NR1H2 P55055 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCL2 P10415 1/20 0.44
BAD Q92934 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SPR P35270 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B3 P37058 1/20 0.43
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL6961230 0.82 TSHR (0.50) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6974860 0.81 GAA (0.55) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6964823 0.77 PTK2 (0.56) GRM5NR1H2ALDH1A1MAPTMEN1
SCHEMBL6972828 0.76 HPGD (0.56) NR1H2ALDH1A1MEN1KMT2AHPGD
SCHEMBL3858227 0.75 NOTUM (0.63) NR1H2MAPTMEN1KMT2AHSD17B3
SCHEMBL6968133 0.75 MEN1 (0.62) NR1H2ALDH1A1MEN1KMT2AGAA
SCHEMBL381428 0.73 NR1H2 (0.56) NR1H2MAPTMEN1KMT2AHSD17B3
SCHEMBL6961505 0.73 USP2 (0.61) ALDH1A1KMT2AGAAHTTCYP3A4
SCHEMBL6961213 0.72 MEN1 (0.65) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL6967882 0.72 ALDH1A1 (0.65) NR1H2ALDH1A1MAPTMEN1KMT2A

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