SCHEMBL5631182

SCHEMBL5631182

O=C(N[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.80
▸ F2 P00734 3/20 0.79
▸ F11 P03951 2/20 0.79

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
SCHEMBL5432478 1.00 F10 (0.80) F10F2F11
SCHEMBL14490785 0.89 F10 (1.00) F10F2F11
SCHEMBL2167736 0.88 F10 (1.00) F10F2F11
SCHEMBL14524989 0.88 F10 (1.00) F10F2F11
SCHEMBL5629840 0.88 F10 (1.00) F10F2F11
SCHEMBL14490787 0.87 F10 (1.00) F10F2F11
SCHEMBL5431971 0.86 F10 (0.86) F10F2F11
SCHEMBL5430392 0.86 F10 (0.85) F10F2F11
SCHEMBL5631086 0.86 F10 (0.85) F10F2F11
SCHEMBL2168020 0.84 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 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
Send feedback