SCHEMBL7359457

SCHEMBL7359457

CCC(C(=O)O)N(CCc1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
KCNN4 O15554 1/20 0.42
KCNA5 P22460 1/20 0.42
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.38
GFER P55789 1/20 0.38
FOLH1 Q04609 1/20 0.37
RORC P51449 1/20 0.36
MAOB P27338 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
S1PR1 P21453 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
SCHEMBL7361444 0.94 KCNN4 (0.46) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7464056 0.92 FFAR1 (0.43) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7362630 0.88 KCNH2 (0.47) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7368444 0.85 FFAR1 (0.41) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7360603 0.82 KCNH2 (0.45) FFAR1KCNN4KCNA5
SCHEMBL7365143 0.79 MMP12 (0.37) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7361445 0.72 KCNN4 (0.42) FFAR1KCNN4KCNA5MMP12MMP13
SCHEMBL7359475 0.71 FFAR1 (0.56) FFAR1MMP12MMP13FFAR4MEN1
SCHEMBL7359452 0.71 PDCD1 (0.44) FFAR1KCNN4KCNA5FFAR4KMT2A
SCHEMBL21518478 0.70 CHRNB2 (0.43) MEN1KMT2ANPC1RORCMAOB

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