SCHEMBL5630640

SCHEMBL5630640

CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(N3CCOCC3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.65
F2 P00734 4/20 0.65
F11 P03951 2/20 0.65
ABCB11 O95342 1/20 0.58
ST14 Q9Y5Y6 1/20 0.58

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
SCHEMBL5432632 1.00 F10 (0.65) F10F2F11ABCB11ST14
SCHEMBL5630608 0.92 F10 (0.65) F10F2F11ABCB11ST14
SCHEMBL5433285 0.92 F10 (0.65) F10F2F11ABCB11ST14
SCHEMBL5432804 0.89 F10 (0.65) F10F2F11ABCB11ST14
SCHEMBL5631625 0.89 F10 (0.65) F10F2F11ABCB11ST14
SCHEMBL5442200 0.87 F10 (0.64) F10F2F11ABCB11ST14
SCHEMBL5631218 0.87 F10 (0.64) F10F2F11ABCB11ST14
SCHEMBL5427299 0.87 F10 (0.66) F10F2F11ABCB11ST14
SCHEMBL5429924 0.86 F10 (0.59) F10F2F11ABCB11ST14
SCHEMBL5630059 0.86 F10 (0.59) F10F2F11ABCB11ST14

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 disclosed