SCHEMBL6991268

SCHEMBL6991268

CCN(CC)Cc1cc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.53
HTR1A P08908 4/20 0.42
HTR7 P34969 4/20 0.42
DRD2 P14416 3/20 0.41
HTR6 P50406 3/20 0.41
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38

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
SCHEMBL4679637 0.91 F10 (0.56) F10HTR1AHTR7DRD2HTR6
SCHEMBL6991426 0.84 F10 (0.59) F10HTR1AHTR7
SCHEMBL4680171 0.82 F10 (0.74) F10
SCHEMBL2699564 0.80 F10 (0.59) F10HTR1AHTR7DRD2HTR6
SCHEMBL4684603 0.77 F10 (0.58) F10HTR1AHTR7DRD2HTR6
SCHEMBL6986018 0.75 F10 (0.68) F10
SCHEMBL6712834 0.74 F10 (0.69) F10
SCHEMBL18131025 0.74 F10 (0.53) F10HTR1AHTR7DRD2HTR6
SCHEMBL6991402 0.71 F10 (0.56) F10HTR1AHTR7DRD2HTR6
SCHEMBL6989398 0.71 F10 (0.35) F10HTR1AHTR7DRD2HTR6

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