SCHEMBL5629984

SCHEMBL5629984

COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-c3ccc[nH]c3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.62
▸ F2 P00734 2/20 0.44
▸ F11 P03951 1/20 0.44

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
SCHEMBL4853903 0.86 F10 (0.59) F10F2F11
SCHEMBL5631152 0.79 F10 (0.46) F10F2F11
SCHEMBL5432520 0.76 F10 (1.00) F10F2F11
SCHEMBL3548699 0.74 F10 (0.59) F10F2
SCHEMBL3556784 0.74 F10 (0.59) F10F2
SCHEMBL3553304 0.74 F10 (0.59) F10F2
SCHEMBL3551408 0.74 F10 (0.59) F10F2
SCHEMBL4688389 0.72 F10 (0.40) F10F2F11
SCHEMBL3554161 0.70 F10 (0.56) F10F2
SCHEMBL13436096 0.70 F10 (0.56) 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
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 — — US claimed
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