SCHEMBL7021986

SCHEMBL7021986

Cc1c(Cl)nc(NC[C@@H]2COCCN2C(=O)C(F)(F)F)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.44
F2 P00734 2/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PRSS1 P07477 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PLAU P00749 2/20 0.35

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
SCHEMBL7015961 0.87 TPSAB1 (0.40) TPSAB1F2F7F3PRSS1
SCHEMBL7029034 0.87 TPSAB1 (0.46) TPSAB1F2F7F3PRSS1
SCHEMBL7021982 0.84 TPSAB1 (0.45) TPSAB1F2F7F3PRSS1
SCHEMBL7027708 0.80 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7020326 0.80 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL8512773 0.79 SCN9A (0.36) NPC1RAB9A
SCHEMBL7023793 0.79 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7027219 0.79 TPSAB1 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL7021064 0.78 PRMT5 (0.46) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.78 TPSAB1 (0.52) 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