SCHEMBL7365375

SCHEMBL7365375

COC(=O)CNCC(c1ccccc1)c1cccc(C(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.56
F2 P00734 15/20 0.56
PRSS1 P07477 13/20 0.55
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7360130 0.95 F10 (0.58) F10F2PRSS1
SCHEMBL31477970 0.83 KMT2A (0.52) ALDH1A1
SCHEMBL31477951 0.75 CNR2 (0.52) ALDH1A1
Methyl Benzoate SCHEMBL7359033 0.74 F10 (0.61) F10F2PRSS1
SCHEMBL8343396 0.72 F10 (0.84) F10F2PRSS1
SCHEMBL7362905 0.71 F10 (0.53) F10F2PRSS1
SCHEMBL7454445 0.71 F10 (1.00) F10F2PRSS1
SCHEMBL7310631 0.70 BCAT2 (0.49) ALDH1A1
Benzamidine SCHEMBL7366537 0.69 F10 (0.67) F10F2PRSS1
Methyl Benzoate SCHEMBL7560351 0.69 F2 (0.55) 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-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