SCHEMBL7366873

SCHEMBL7366873

N#Cc1ccc(CCC(CC(=O)NCCc2ccccc2)c2cccc(C#N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
HPGD P15428 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CNR1 P21554 3/20 0.46
CNR2 P34972 1/20 0.46
MMP12 P39900 2/20 0.45
MMP13 P45452 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
POLB P06746 2/20 0.45
LSS P48449 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 1/20 0.42
FFAR1 O14842 2/20 0.42
TACR1 P25103 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7361941 0.84 F10 (0.58) CNR1CNR2MMP12MMP13FNTA
SCHEMBL7361691 0.84 MMP12 (0.58) CNR1CNR2MMP12MMP13FNTA
SCHEMBL7364249 0.83 F2 (0.62) CNR1CNR2MMP12MMP13F2
SCHEMBL7361040 0.80 F10 (0.58) MMP12MMP13F2F10PRSS1
SCHEMBL7364254 0.76 MMP12 (0.47) CNR1CNR2MMP12MMP13F2
SCHEMBL7362399 0.75 MMP12 (0.43) HPGDMMP12MMP13F2F10
SCHEMBL7363315 0.74 F10 (0.60) F2F10PRSS1FFAR1FFAR4
SCHEMBL7362516 0.73 F10 (0.67) MMP12MMP13F2F10PRSS1
SCHEMBL23467854 0.72 POLB (0.55) ABCB1HPGDABCG2CNR1MMP12
SCHEMBL7360285 0.72 F10 (0.71) F2F10PRSS1

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 4 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 disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US 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