SCHEMBL6991402

SCHEMBL6991402

O=C1C(NS(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccc(-c2ccccc2)c(CN2CCC(O)CC2)c1F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.56
HTR1A P08908 4/20 0.43
HTR7 P34969 4/20 0.43
DRD2 P14416 3/20 0.42
HTR6 P50406 3/20 0.42

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
SCHEMBL6988761 0.96 F10 (0.55) F10HTR1AHTR7DRD2HTR6
SCHEMBL6991426 0.84 F10 (0.59) F10HTR1AHTR7
SCHEMBL4679733 0.82 F10 (0.71) F10
SCHEMBL6987538 0.82 F10 (0.38) F10HTR1AHTR7DRD2HTR6
SCHEMBL6986018 0.82 F10 (0.68) F10
SCHEMBL4680578 0.78 F10 (0.69) F10
SCHEMBL6984239 0.78 F10 (0.37) F10HTR1AHTR7DRD2HTR6
SCHEMBL2699564 0.76 F10 (0.59) F10HTR1AHTR7DRD2HTR6
SCHEMBL4683491 0.72 F10 (0.56) F10
SCHEMBL4680558 0.72 F10 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed