SCHEMBL6989692

SCHEMBL6989692

CCN(C1CCCN(c2ccc(-c3ccccc3)c(S(C)(=O)=O)c2)C1=O)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.51
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
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
SCHEMBL6983760 0.92 F10 (0.50) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL4681031 0.90 F10 (0.57) F10FPR1FPR2
SCHEMBL6988849 0.89 F10 (0.46) F10FPR1FPR2
SCHEMBL4680343 0.82 F10 (0.56) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL4681028 0.78 F10 (0.51) F10FPR1FPR2
SCHEMBL4480981 0.73 F10 (0.62) F10
SCHEMBL28704468 0.73 FPR2 (0.69) FPR1FPR2
SCHEMBL6989555 0.71 F10 (0.43) F10FPR1FPR2
SCHEMBL6986900 0.70 PSEN1 (0.51) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL4681207 0.69 F10 (0.67) 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 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