SCHEMBL6973348

SCHEMBL6973348

COc1cccc(CC(=O)N2CCc3c[c]ccc3C2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
GHSR Q92847 3/20 0.49
KDM4E B2RXH2 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.41
MTNR1B P49286 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6962485 0.85 PARP1 (0.47) PARP1GHSRKDM4ESIGMAR1OPRK1
SCHEMBL6968799 0.85 LMNA (0.48) KDM4EKMT2ATP53LMNAMTNR1B
SCHEMBL6971131 0.85 SIRT2 (0.43) KDM4ESIGMAR1PTGER4PTGER2KMT2A
SCHEMBL6968134 0.83 UTS2R (0.40) GHSRKDM4ESIGMAR1KMT2AMEN1
SCHEMBL6974704 0.79 MAPT (0.40) PARP1GHSRKDM4ELMNAALDH1A1
SCHEMBL6965563 0.79 PARP1 (0.42) PARP1KDM4EKMT2AMEN1
SCHEMBL6970725 0.79 SMN1; SMN2 (0.42) KDM4EKMT2AMEN1TP53LMNA
SCHEMBL6974644 0.77 CYP1A2 (0.40) PARP1GHSRKDM4ESIGMAR1
SCHEMBL6961296 0.77 ACE (0.46) PARP1GHSRSIGMAR1TP53LMNA
SCHEMBL6970477 0.77 TNKS (0.46) PARP1KDM4ESIGMAR1KMT2ALMNA

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