SCHEMBL7362906

SCHEMBL7362906

CCC(C(=O)O)N(CCCCc1ccc(N)cc1)c1cccc(C=NN)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.34
MAOB P27338 2/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
PPARA Q07869 1/20 0.32
LPAR1 Q92633 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
CA12 O43570 2/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL7361085 0.86 PPARG (0.36) PPARGMAOBCA1CA2PPARA
SCHEMBL7368444 0.81 FFAR1 (0.41) PPARGMAOBPPARA
SCHEMBL7365875 0.81 CA1 (0.35) PPARGMAOBCA1CA2ITGB1
SCHEMBL7363751 0.77 F2 (0.42) MAOBCA1CA2CA7CA9
SCHEMBL7365143 0.75 MMP12 (0.37) PPARGMAOBPPARALPAR1ITGB1
Trifluoroacetic Acid SCHEMBL7450717 0.75 F2 (0.49) MAOBCA1CA2
SCHEMBL7360137 0.74 CA1 (0.36) PPARGCA1CA2CA12CA7
SCHEMBL7464056 0.74 FFAR1 (0.43) MAOB
SCHEMBL7365378 0.73 LTB4R (0.38) PPARGCA1CA2CA12CA9
SCHEMBL7364865 0.73 SMN1; SMN2 (0.39) MAOBCA1CA2CA7CA9

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 6 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-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP claimed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO claimed
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
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