SCHEMBL7365693

SCHEMBL7365693

NN=Cc1cccc(C(CCc2ccc(N)cc2)CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.53
F2 P00734 14/20 0.47
PRSS1 P07477 11/20 0.47
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.37
CA9 Q16790 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
Trifluoroacetic Acid SCHEMBL7453858 0.94 F10 (0.47) F10F2PRSS1CA1CA2
Hydrochloric Acid SCHEMBL7361312 0.92 F10 (0.54) F10F2PRSS1CA1CA2
SCHEMBL7361417 0.90 F10 (0.52) F10F2PRSS1CA1CA2
Trifluoroacetic Acid SCHEMBL7451183 0.87 F10 (0.41) F10F2PRSS1CA1CA2
Trifluoroacetic Acid SCHEMBL7454348 0.84 F10 (0.47) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7455028 0.84 F10 (0.45) F10F2PRSS1CA1CA2
SCHEMBL7363398 0.83 F10 (0.58) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451765 0.82 F10 (0.45) F10F2PRSS1CA1CA2
SCHEMBL7366768 0.81 F10 (0.52) F10F2PRSS1
SCHEMBL7367192 0.80 F10 (0.42) F10F2PRSS1CA1CA2

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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed