SCHEMBL1380945

SCHEMBL1380945

C=CCCCC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.50
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1380233 0.94 F10 (0.51) F10
SCHEMBL8315691 0.88 F10 (0.54) F10NPC1TP53TSHRRAB9A
SCHEMBL5873331 0.88 F10 (0.55) F10NPC1TP53TSHRRAB9A
SCHEMBL1378537 0.86 F10 (0.53) F10
SCHEMBL1376974 0.86 F10 (0.56) F10TP53
SCHEMBL1377268 0.85 F10 (0.55) F10TSHR
SCHEMBL1379231 0.84 F10 (0.54) F10
SCHEMBL1377046 0.83 F10 (0.60) F10
SCHEMBL1380185 0.83 F10 (0.52) F10
SCHEMBL1379885 0.83 F10 (0.56) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4732757-B2 2011-07-27 JP claimed
JP-2006512321-A 2006-04-13 JP claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP claimed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed