SCHEMBL3398748

SCHEMBL3398748

CC1(c2ccccc2)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL26639082 0.92 CYP2D6 (0.45)
SCHEMBL30638244 0.92 CYP2D6 (0.45)
SCHEMBL30648540 0.90
SCHEMBL26639069 0.90
SCHEMBL27663775 0.88 OPRM1 (0.50) MEN1KMT2ANPSR1
SCHEMBL26791524 0.86
SCHEMBL26659294 0.84 OPRD1 (0.43)
SCHEMBL30638226 0.84 OPRD1 (0.43)
SCHEMBL16980487 0.83
SCHEMBL630728 0.83 MEN1 (0.47) MEN1KMT2ANPSR1

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-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed