SCHEMBL13189558

SCHEMBL13189558

CCC1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3cnc(N4CCC(CC(=O)N=O)C4)nc3)cc2O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 11/20 0.59
▸ TP53 P04637 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 2/20 0.36

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
SCHEMBL12045662 0.93 DGAT1 (0.61) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL9985829 0.93 DGAT1 (0.65) DGAT1TP53LMNACYP2C9
SCHEMBL12045621 0.87 DGAT1 (0.63) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL9984513 0.87 DGAT1 (0.67) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL12045657 0.87 DGAT1 (0.64) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL9986009 0.86 DGAT1 (0.66) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL12045660 0.79 TP53 (0.52) DGAT1TP53LMNACYP2C9MAPT
SCHEMBL9985427 0.79 DGAT1 (0.58) DGAT1TP53LMNACYP2C9
SCHEMBL12045707 0.79 DGAT1 (0.68) DGAT1TP53CYP2C9MAPTTHRB
SCHEMBL12045658 0.78 DGAT1 (0.62) DGAT1TP53CYP2C9MAPTTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107765-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 — — WO disclosed
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