SCHEMBL7023629

SCHEMBL7023629

Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NC[C@H]4CCCN4C4CCOCC4)c3=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.46
PRSS1 P07477 4/20 0.44
MASP2 O00187 1/20 0.40
P2RX3 P56373 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL7022027 0.94 F2 (0.48) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7992846 0.88 F2 (0.60) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7026174 0.88 F2 (0.60) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7022453 0.87 F2 (0.50) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7022822 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7020324 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7023456 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7019546 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3
Hydrochloric Acid SCHEMBL7027209 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3
SCHEMBL7019983 0.85 F2 (0.47) F2PRSS1MASP2PRSS2PRSS3

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 6 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-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