SCHEMBL7358633

SCHEMBL7358633

CC(CN(CCO)c1cccc(C#N)c1)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.43
FEN1 P39748 18/20 0.43
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35

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
SCHEMBL7359722 0.90 F2 (0.42) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7365001 0.90 ALOX5AP (0.42) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7363801 0.79 MMP3 (0.43) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7459611 0.79 MMP3 (0.44) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7368049 0.78 F2 (0.59) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7459605 0.77 F2 (0.59) ALOX5APFEN1F2PRSS1PRSS2
SCHEMBL7454504 0.75 ALOX5AP (0.38) ALOX5APFEN1
SCHEMBL5885954 0.75 NR3C1 (0.41) ALOX5APFEN1
SCHEMBL7057459 0.75 RORC (0.44) ALOX5APFEN1
SCHEMBL5885956 0.75 ALOX5AP (0.41) ALOX5APFEN1

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