SCHEMBL5873331

SCHEMBL5873331

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.55
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL8315691 0.92 F10 (0.54) F10TP53RAB9ANPC1TSHR
SCHEMBL1378537 0.90 F10 (0.53) F10
SCHEMBL1376974 0.89 F10 (0.56) F10TP53
SCHEMBL1377046 0.89 F10 (0.60) F10
SCHEMBL1376448 0.88 RAB9A (0.52) F10TP53RAB9ANPC1TSHR
SCHEMBL1377268 0.88 F10 (0.55) F10TSHR
SCHEMBL1376606 0.88 F10 (0.59) F10
SCHEMBL1380945 0.88 F10 (0.50) F10TP53RAB9ANPC1TSHR
SCHEMBL1379231 0.87 F10 (0.54) F10
SCHEMBL6214739 0.87 F10 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006519188-A 2006-08-24 JP claimed
EP-1597244-A1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2005-11-23 EP claimed
EP-1549304-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GmbH (DE) 2005-07-06 EP claimed
WO-2004076429-A1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-09-10 WO claimed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO claimed