SCHEMBL7019343

SCHEMBL7019343

COC[C@H](NC(=O)OC(C)(C)C)c1cccc(CCNc2ncc(C)n(CC(=O)O)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.45
PRSS1 P07477 7/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL7019348 1.00 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7017847 0.83 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL7026202 0.80 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL7019033 0.79 TPSAB1 (0.47) F2PRSS1
SCHEMBL7019035 0.79 TPSAB1 (0.47) F2PRSS1
SCHEMBL3238624 0.76 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL8186956 0.75 F2 (0.57) F2PRSS1PRSS2PRSS3
SCHEMBL7019470 0.74 MAPT (0.54)
SCHEMBL7019474 0.74 MAPT (0.54)
SCHEMBL7025245 0.74 F2 (0.55) F2PRSS1PRSS2PRSS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed