SCHEMBL5631249

SCHEMBL5631249

NC(=O)CN1C[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.73
▸ F2 P00734 4/20 0.73
▸ F11 P03951 3/20 0.73

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
SCHEMBL5434237 1.00 F10 (0.73) F10F2F11
SCHEMBL5630655 0.89 F10 (0.76) F10F2F11
SCHEMBL5630650 0.89 F10 (0.76) F10F2F11
SCHEMBL5432357 0.89 F10 (0.76) F10F2F11
SCHEMBL5631231 0.88 F10 (0.76) F10F2F11
SCHEMBL5427957 0.88 F10 (0.76) F10F2F11
SCHEMBL5445573 0.88 F10 (0.82) F10F2F11
SCHEMBL5447210 0.86 F10 (0.77) F10F2F11
SCHEMBL5631164 0.86 F10 (0.77) F10F2F11
SCHEMBL5629872 0.86 F10 (0.73) 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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