SCHEMBL7021066

SCHEMBL7021066

Cc1c(Cl)nc(NC[C@@]2(C(C)(C)C)CCCN2C(=O)O)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.41
F2 P00734 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS1 P07477 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3240571 0.83 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL3247707 0.79 F2 (0.60) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.78 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7403728 0.78 TPSAB1 (0.49) TPSAB1F2F7F3PRSS1
SCHEMBL7027708 0.78 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7020326 0.78 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7140320 0.77 F2 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7023793 0.77 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7316378 0.77 TPSAB1 (0.44) TPSAB1F2F7F3PRSS1
SCHEMBL7020168 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed