SCHEMBL3984074

SCHEMBL3984074

CN(Cc1ccccc1)CC(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.51
ATM Q13315 1/20 0.49
AKT1 P31749 2/20 0.48
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
CTSS P25774 3/20 0.46
CTSH P09668 1/20 0.45

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
SCHEMBL29866102 0.82 PPARA (0.57) CTSKATMAKT1CTSLCTSB
SCHEMBL26932496 0.82 PPARA (0.57) CTSKATMAKT1CTSLCTSB
SCHEMBL556571 0.82 PPARA (0.57) CTSKATMAKT1CTSLCTSB
SCHEMBL390555 0.82 ATM (0.62) CTSKATMCTSLCTSBCTSS
SCHEMBL1094506 0.82 ATM (0.62) CTSKATMCTSLCTSBCTSS
SCHEMBL7094 0.82 ATM (0.62) CTSKATMCTSLCTSBCTSS
SCHEMBL21910023 0.81 SYK (0.56) CTSKATMAKT1CTSLCTSB
SCHEMBL30703902 0.81 PSEN1 (0.54) CTSKATMAKT1CTSLCTSB
SCHEMBL555765 0.81 CTSS (0.50) CTSKATMAKT1CTSLCTSB
SCHEMBL1457796 0.81 CTSS (0.50) CTSKATMAKT1CTSLCTSB

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-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed