SCHEMBL6969704

SCHEMBL6969704

Cc1cccc(C(=O)N2CCc3c[c]ccc3C2C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 5/20 0.38
GRM5 P41594 3/20 0.35
P2RX7 Q99572 1/20 0.35
HHAT Q5VTY9 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PDE2A O00408 1/20 0.34
KMT2A Q03164 2/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6961223 0.84 TSHR (0.41) MAPTRAB9ACNR2ALDH1A1GAA
SCHEMBL6960917 0.83 L3MBTL1 (0.43) RAB9AGRM5ALDH1A1GAAPDE10A
SCHEMBL6972820 0.80 MEN1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6964819 0.79 PTK2 (0.46) MAPTRAB9AGRM5ALDH1A1
SCHEMBL6967680 0.79 KMT2A (0.38) MAPTALDH1A1LMNANPSR1KMT2A
SCHEMBL3873900 0.79 SIRT1 (0.40) HHATTSHRKMT2AMEN1
SCHEMBL6968127 0.78 MAPK1 (0.39) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL6967876 0.77 MAPT (0.46) MAPTRAB9AALDH1A1LMNAGAA
SCHEMBL6961500 0.77 TSHR (0.52) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL6962527 0.76 ACE (0.40) KMT2AMEN1

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