SCHEMBL7029034

SCHEMBL7029034

Cc1c(Cl)nc(NC[C@H]2C[C@H](C)CCN2C(=O)C(F)(F)F)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.46
F2 P00734 2/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PRSS1 P07477 1/20 0.37
PLAU P00749 2/20 0.35
TSHR P16473 1/20 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
SCHEMBL7019224 0.88 TPSAB1 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7021986 0.87 TPSAB1 (0.44) TPSAB1F2F7F3PRSS1
SCHEMBL7027846 0.86 TSHR (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7020326 0.81 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7027708 0.81 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7021982 0.81 TPSAB1 (0.45) TPSAB1F2F7F3PRSS1
SCHEMBL7021913 0.80 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.79 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7021064 0.79 PRMT5 (0.46) TPSAB1F2F7F3PRSS1
SCHEMBL7020168 0.79 TPSAB1 (0.43) 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