SCHEMBL8601348

SCHEMBL8601348

O=C(O)COc1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.65
F2 P00734 4/20 0.56
ELANE P08246 2/20 0.56
HTT P42858 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7399758 0.89 F10 (0.63) F10F2ELANEGAA
Hydrochloric Acid SCHEMBL7396453 0.84 GAA (0.52) F10ALDH1A1GAA
SCHEMBL7392845 0.83 F10 (0.59) F10F2ELANE
Hydrochloric Acid SCHEMBL7336365 0.82 F10 (0.58) F10F2ELANE
SCHEMBL7402733 0.82 TRPV1 (0.65) ALDH1A1GAA
SCHEMBL7398480 0.80 ITGB3 (0.53) F10
SCHEMBL7399643 0.80 HRH1 (0.57)
Hydrochloric Acid SCHEMBL9409439 0.80 F10 (0.61) F10F2ELANE
SCHEMBL7406788 0.79 F10 (0.62) F10F2ELANE
SCHEMBL7399619 0.78 ITGB3 (0.51)

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-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed