SCHEMBL7316378

SCHEMBL7316378

Cc1c(Cl)nc(NCC(C)(c2ccccc2)N(C)C)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.44
F2 P00734 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PRSS1 P07477 1/20 0.42
PLAU P00749 4/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3247707 0.82 F2 (0.60) TPSAB1F2F7F3PRSS1
SCHEMBL7140320 0.81 F2 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7403728 0.80 TPSAB1 (0.49) TPSAB1F2F7F3PRSS1
SCHEMBL7316380 0.80 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7675994 0.80 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL5885589 0.79 F2 (0.59) TPSAB1F2F7F3PRSS1
SCHEMBL7021593 0.78 TPSAB1 (0.53) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.78 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7912621 0.78 TPSAB1 (0.61) TPSAB1F2F7F3PRSS1
SCHEMBL7020342 0.78 F2 (0.40) 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 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