SCHEMBL2334733

SCHEMBL2334733

COc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)C2CCC(CN)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00
KLKB1 P03952 2/20 0.63
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63

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
SCHEMBL1386531 1.00 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2328487 0.87 F11 (1.00) F11KLKB1
SCHEMBL2333800 0.87 F11 (1.00) F11KLKB1
SCHEMBL2332143 0.87 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2331264 0.87 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2324090 0.86 F11 (0.81) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2331259 0.82 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2328198 0.82 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2328272 0.81 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2328269 0.81 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3

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
EP-1773775-B1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-08-17 EP disclosed