SCHEMBL7316371

SCHEMBL7316371

Cc1c(Cl)nc(NC([C@H](C)c2ccccc2)N(C)C)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 9/20 0.39
KAT2B Q92831 1/20 0.39
PLAU P00749 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7316389 1.00 F2 (0.39) F2F7F3PRSS1TPSAB1
SCHEMBL7020342 0.82 F2 (0.40) F2F7F3PRSS1TPSAB1
SCHEMBL7140320 0.81 F2 (0.47) F2F7F3PRSS1TPSAB1
SCHEMBL7675994 0.80 F2 (0.42) F2F7F3PRSS1TPSAB1
SCHEMBL7316380 0.80 F2 (0.42) F2F7F3PRSS1TPSAB1
SCHEMBL3247707 0.78 F2 (0.60) F2F7F3PRSS1TPSAB1
SCHEMBL3240576 0.78 MEN1 (0.44) PLAUKMT2AMEN1ALDH1A1HPGD
SCHEMBL7316378 0.77 TPSAB1 (0.44) F2F7F3PRSS1TPSAB1
SCHEMBL7912621 0.76 TPSAB1 (0.61) F2F7F3PRSS1TPSAB1
SCHEMBL3247710 0.76 P2RX7 (0.43) F2F7F3PRSS1TPSAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed