SCHEMBL7361085

SCHEMBL7361085

CC(C(=O)O)N(CCCc1ccc(N)cc1)c1cccc(C=NN)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MAOB P27338 2/20 0.33
PPARA Q07869 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
EPOR P19235 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPIB P23284 1/20 0.30

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
SCHEMBL7365875 0.95 CA1 (0.35) PPARGCA1CA2MAOBCA7
SCHEMBL7360137 0.88 CA1 (0.36) PPARGCA1CA2CA7CA9
SCHEMBL7365378 0.87 LTB4R (0.38) PPARGCA1CA2CA9EPOR
SCHEMBL7362906 0.86 PPARG (0.34) PPARGCA1CA2MAOBPPARA
SCHEMBL7434543 0.83 F2 (0.48)
SCHEMBL7357764 0.80 MMP3 (0.42)
SCHEMBL7443741 0.78 F2 (0.46)
SCHEMBL7363751 0.76 F2 (0.42) CA1CA2MAOBCA7CA9
SCHEMBL7364865 0.76 SMN1; SMN2 (0.39) CA1CA2MAOBCA7CA9
SCHEMBL7450977 0.75 MMP3 (0.41)

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