SCHEMBL5632278

SCHEMBL5632278

O=C(N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.82
F2 P00734 4/20 0.76
F11 P03951 3/20 0.76

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
SCHEMBL5428978 1.00 F10 (0.82) F10F2F11
SCHEMBL5429329 0.97 F10 (0.79) F10F2F11
SCHEMBL5438811 0.97 F10 (0.79) F10F2F11
SCHEMBL5629832 0.97 F10 (0.79) F10F2F11
SCHEMBL5631298 0.97 F10 (0.79) F10F2F11
SCHEMBL14490781 0.90 F10 (1.00) F10F2F11
SCHEMBL14490776 0.87 F10 (1.00) F10F2F11
SCHEMBL5431971 0.87 F10 (0.86) F10F2F11
SCHEMBL5631636 0.87 F10 (0.84) F10F2F11
SCHEMBL5435612 0.87 F10 (0.84) F10F2F11

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
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed