SCHEMBL7016098

SCHEMBL7016098

Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NC[C@@]4(C(C)(C)C)CCCN4C(=O)O)c3=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.42
F7 P08709 9/20 0.42
F3 P13726 9/20 0.42
PRSS1 P07477 2/20 0.39
TPSAB1 Q15661 7/20 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
SCHEMBL7022726 0.81 F2 (0.43) F2F7F3PRSS1TPSAB1
SCHEMBL7024445 0.79 F2 (0.45) F2F7F3PRSS1TPSAB1
SCHEMBL7016094 0.77 F2 (0.39) F2F7F3PRSS1TPSAB1
SCHEMBL7016138 0.76 TPSAB1 (0.41) F2F7F3PRSS1TPSAB1
SCHEMBL7022356 0.76 TPSAB1 (0.41) F2F7F3PRSS1TPSAB1
SCHEMBL7021066 0.75 TPSAB1 (0.41) F2F7F3PRSS1TPSAB1
SCHEMBL7027521 0.74 F2 (0.40) F2F7F3PRSS1TPSAB1
SCHEMBL7022361 0.74 TPSAB1 (0.40) F2F7F3PRSS1TPSAB1
SCHEMBL7027523 0.73 F2 (0.39) F2F7F3PRSS1TPSAB1
SCHEMBL7019325 0.69 F2 (0.53) F2PRSS1

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