SCHEMBL7362399

SCHEMBL7362399

N#Cc1ccc(CCC(CC(=O)N2CCCC2)c2cccc(C#N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
DPP4 P27487 3/20 0.41
FFAR1 O14842 1/20 0.40
EP300 Q09472 2/20 0.40
HAT1 O14929 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
KMT2A Q03164 1/20 0.38
TNF P01375 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7361691 0.83 MMP12 (0.58) MMP12MMP13F10F2PRSS1
SCHEMBL8344111 0.79 DPP7 (0.48) MMP12MMP13DPP7DPP4FFAR1
SCHEMBL7361040 0.79 F10 (0.58) MMP12MMP13F10F2PRSS1
SCHEMBL7361941 0.79 F10 (0.58) MMP12MMP13F10F2PRSS1
SCHEMBL7366873 0.75 ABCB1 (0.50) MMP12MMP13F10F2PRSS1
SCHEMBL8344114 0.75 NPC1 (0.43) DPP7HPGD
SCHEMBL7364254 0.74 MMP12 (0.47) MMP12MMP13F10F2PRSS1
SCHEMBL7362401 0.74 MCHR1 (0.46) TNF
SCHEMBL7364249 0.74 F2 (0.62) MMP12MMP13F10F2PRSS1
SCHEMBL4423185 0.73 NPC1 (0.64)

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 3 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
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