SCHEMBL6984239

SCHEMBL6984239

O=C1C(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)s2)CCCN1c1ccc(-c2ccccc2)c(CN2CCC(O)C2)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.37
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
DRD2 P14416 2/20 0.33
HTR6 P50406 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL6987538 0.96 F10 (0.38) F10HTR1AHTR7DRD2HTR6
SCHEMBL6990571 0.85 F10 (0.40) F10LMNA
SCHEMBL4679316 0.85 F10 (0.47) F10
SCHEMBL6988761 0.83 F10 (0.55) F10HTR1AHTR7DRD2HTR6
SCHEMBL4680990 0.81 F10 (0.48) F10
SCHEMBL6991402 0.78 F10 (0.56) F10HTR1AHTR7DRD2HTR6
SCHEMBL4683893 0.73 F10 (0.51) F10
SCHEMBL6991426 0.69 F10 (0.59) F10HTR1AHTR7
SCHEMBL4680578 0.66 F10 (0.69) F10
SCHEMBL6986018 0.63 F10 (0.68) 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 4 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 claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
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