SCHEMBL7459388

SCHEMBL7459388

COC(=O)CC(CCCCc1ccc(NC=NN)cc1)c1cccc(C=NN)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.52
F2 P00734 16/20 0.52
PRSS1 P07477 11/20 0.52
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL7457522 0.94 F10 (0.53) F10F2PRSS1
SCHEMBL7367192 0.91 F10 (0.42) F10F2PRSS1
SCHEMBL7454990 0.79 F10 (0.35) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451765 0.79 F10 (0.45) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451183 0.74 F10 (0.41) F10F2PRSS1
SCHEMBL7459521 0.74 F10 (0.39) F10F2PRSS1
SCHEMBL7366768 0.74 F10 (0.52) F10F2PRSS1
SCHEMBL7361417 0.72 F10 (0.52) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361312 0.72 F10 (0.54) F10F2PRSS1
SCHEMBL7365982 0.71 F2 (0.58) F10F2PRSS1

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-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP claimed
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed