SCHEMBL5630019

SCHEMBL5630019

CC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.75
▸ F2 P00734 3/20 0.75
▸ F11 P03951 2/20 0.75

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
SCHEMBL5432311 0.92 F10 (0.75) F10F2F11
SCHEMBL5631206 0.86 F10 (0.75) F10F2F11
SCHEMBL14490680 0.86 F10 (1.00) F10F2F11
SCHEMBL14524990 0.86 F10 (1.00) F10F2F11
SCHEMBL13436058 0.80 F10 (0.67) F10F2F11
SCHEMBL4485318 0.79 F10 (0.56) F10F2F11
SCHEMBL4490061 0.79 F10 (0.56) F10F2F11
SCHEMBL13672289 0.79 F10 (0.56) F10F2F11
SCHEMBL5431971 0.77 F10 (0.86) F10F2F11
SCHEMBL5438723 0.77 F10 (1.00) 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 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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