SCHEMBL7459672

SCHEMBL7459672

COC(=O)CCCN(CCc1ccc(N)cc1)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
F2 P00734 5/20 0.38
PRSS1 P07477 5/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
F10 P00742 3/20 0.38
PLG P00747 2/20 0.38
PLAT P00750 2/20 0.38
F7 P08709 2/20 0.38
LTA4H P09960 1/20 0.37
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7462659 0.93 FFAR1 (0.44) FFAR1FFAR4F2PRSS1PRSS2
SCHEMBL7362467 0.87 FFAR1 (0.53) FFAR1FFAR4MEN1USP2KMT2A
SCHEMBL7464051 0.80 PDCD1 (0.42) FFAR1FFAR4F2PRSS1PRSS2
SCHEMBL7359475 0.79 FFAR1 (0.56) FFAR1FFAR4MEN1USP2KMT2A
Trifluoroacetic Acid SCHEMBL7454841 0.79 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL7368439 0.78 PDCD1 (0.40) FFAR1FFAR4F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7454448 0.77 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7357492 0.76 FFAR1 (0.47) FFAR1FFAR4F2PRSS1PRSS2
SCHEMBL7362325 0.76 FFAR1 (0.42) FFAR1FFAR4F2PRSS1PRSS2
SCHEMBL3466545 0.73 MMP12 (0.54) FFAR1FFAR4

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 1 patent. 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