SCHEMBL2107659

SCHEMBL2107659

NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)c[n+]([O-])c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00

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
SCHEMBL13524382 0.86 F11 (1.00) F11
SCHEMBL2105730 0.82 F11 (1.00) F11
SCHEMBL2108128 0.82 F11 (1.00) F11
SCHEMBL2323967 0.81 F11 (1.00) F11
SCHEMBL2106460 0.78 F11 (1.00) F11
SCHEMBL2331622 0.77 F11 (1.00) F11
SCHEMBL2324516 0.77 F11 (1.00) F11
SCHEMBL3174693 0.77 F11 (0.80) F11
SCHEMBL2328198 0.77 F11 (1.00) F11
SCHEMBL2331259 0.77 F11 (1.00) F11

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-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed