SCHEMBL6986900

SCHEMBL6986900

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(N(Cc3ccccn3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)c1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
F10 P00742 12/20 0.47
CXCR3 P49682 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL4681207 0.83 F10 (0.67) F10
SCHEMBL5914269 0.80 F10 (0.73) F10
SCHEMBL5768089 0.76 F10 (0.69) F10
SCHEMBL6988052 0.73 F10 (0.58) F10
SCHEMBL6988797 0.73 F10 (0.44) F10
SCHEMBL6983760 0.72 F10 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7139450 0.71 FPR2 (0.55) F10
SCHEMBL28703156 0.71 F10 (0.42) F10
SCHEMBL6987862 0.70 F10 (0.54) F10
SCHEMBL6989692 0.70 F10 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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