SCHEMBL5629967

SCHEMBL5629967

CC(C)N1C[C@@H](NC(=O)c2ccc(N3CCCCC3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.76
F2 P00734 4/20 0.76
F11 P03951 2/20 0.51

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
SCHEMBL5427288 1.00 F10 (0.76) F10F2F11
SCHEMBL5631313 0.88 F10 (0.74) F10F2F11
SCHEMBL5432609 0.87 F10 (0.79) F10F2F11
SCHEMBL5434026 0.87 F10 (0.70) F10F2F11
SCHEMBL5631572 0.87 F10 (0.70) F10F2F11
SCHEMBL2002990 0.87 F10 (1.00) F10F2
SCHEMBL1996160 0.87 F10 (0.96) F10F2
SCHEMBL14502194 0.87 F10 (1.00) F10F2
SCHEMBL14490688 0.87 F10 (1.00) F10F2
SCHEMBL4690423 0.86 F10 (0.75) 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