SCHEMBL2105730

SCHEMBL2105730

NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cncc(-c3ccccc3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00
KLKB1 P03952 3/20 0.66

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
SCHEMBL2107198 0.89 F11 (1.00) F11KLKB1
SCHEMBL2107197 0.89 F11 (1.00) F11KLKB1
SCHEMBL13524382 0.88 F11 (1.00) F11
SCHEMBL1753937 0.84 F11 (0.71) F11KLKB1
SCHEMBL2105159 0.84 F11 (0.71) F11KLKB1
SCHEMBL2107659 0.82 F11 (1.00) F11
SCHEMBL2106191 0.82 F11 (0.69) F11KLKB1
SCHEMBL2106189 0.82 F11 (0.69) F11KLKB1
SCHEMBL2106460 0.81 F11 (1.00) F11KLKB1
SCHEMBL2328198 0.80 F11 (1.00) F11KLKB1

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