SCHEMBL7023800

SCHEMBL7023800

Cc1c(Cl)nc(NCCc2cccc(CN(C)C)c2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.62
F7 P08709 11/20 0.56
F3 P13726 11/20 0.56
PRSS1 P07477 4/20 0.52
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSAB1 Q15661 1/20 0.46

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
SCHEMBL7021845 0.87 F2 (0.81) F2PRSS1PRSS2PRSS3
SCHEMBL7027598 0.81 TPSAB1 (0.54) F2F7F3PRSS1TPSAB1
SCHEMBL7019506 0.80 F2 (0.55) F2F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7022577 0.80 TPSAB1 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL7021593 0.76 TPSAB1 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL7027983 0.73 F2 (0.56) F2F7F3PRSS1TPSAB1
SCHEMBL7023018 0.71 TPSAB1 (0.47) F2F7F3PRSS1TPSAB1
SCHEMBL7017912 0.70 F2 (0.69) F2PRSS1PRSS2PRSS3
SCHEMBL7671130 0.69 F2 (0.71) F2PRSS1PRSS2PRSS3
SCHEMBL7317972 0.69 F2 (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP claimed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US claimed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP claimed
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