SCHEMBL7019035

SCHEMBL7019035

COC[C@@H](NC(=O)OC(C)(C)C)c1cccc(CCNc2nc(Cl)c(C)n(CC(=O)OCc3ccccc3)c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.47
F2 P00734 6/20 0.43
F7 P08709 5/20 0.43
F3 P13726 5/20 0.43
PRSS1 P07477 1/20 0.43
MAPT P10636 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL7019033 1.00 TPSAB1 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7024770 0.84 TPSAB1 (0.50) TPSAB1F2F7F3PRSS1
SCHEMBL7025534 0.84 TPSAB1 (0.49) TPSAB1F2F7F3PRSS1
SCHEMBL7026586 0.81 TPSAB1 (0.50) TPSAB1F2F7F3PRSS1
SCHEMBL7021053 0.80 TPSAB1 (0.51) TPSAB1F2F7F3PRSS1
SCHEMBL7449497 0.80 TPSAB1 (0.57) TPSAB1F2F7F3PRSS1
SCHEMBL7025014 0.79 TPSAB1 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7019348 0.79 F2 (0.45) F2PRSS1
SCHEMBL7019343 0.79 F2 (0.45) F2PRSS1
SCHEMBL7020450 0.79 TPSAB1 (0.54) TPSAB1F2F7F3PRSS1

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