SCHEMBL3813614

SCHEMBL3813614

N=C(NO)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccc[nH]c4=O)cc2)CC3)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.57
F2 P00734 3/20 0.57

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
SCHEMBL1996038 0.82 F10 (0.53) F10F2
SCHEMBL6790978 0.75 F10 (0.73) F10F2
SCHEMBL6785944 0.75 F10 (0.83) F10F2
SCHEMBL6785684 0.74 F10 (0.81) F10F2
SCHEMBL2000926 0.73 F10 (0.54) F10F2
SCHEMBL6785157 0.73 F10 (0.79) F10F2
SCHEMBL4593587 0.73 F10 (0.73) F10F2
SCHEMBL5819494 0.73 F10 (1.00) F10F2
SCHEMBL6788473 0.73 F10 (0.82) F10F2
SCHEMBL5794816 0.73 F10 (0.69) F10F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427415-B1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-08-12 EP disclosed