SCHEMBL7361444

SCHEMBL7361444

CCC(C(=O)O)N(CCc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
KCNA5 P22460 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
FFAR1 O14842 3/20 0.41
LMNA P02545 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FOLH1 Q04609 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GLA P06280 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
SCHEMBL7359457 0.94 FFAR1 (0.45) KCNN4KCNA5MEN1KMT2AUSP2
SCHEMBL7464056 0.91 FFAR1 (0.43) KCNN4KCNA5MEN1KMT2AUSP2
SCHEMBL7362630 0.87 KCNH2 (0.47) KCNN4KCNA5FFAR1MMP12MMP13
SCHEMBL7368444 0.84 FFAR1 (0.41) KCNN4KCNA5MEN1KMT2AUSP2
SCHEMBL7360603 0.81 KCNH2 (0.45) KCNN4KCNA5FFAR1
SCHEMBL7365143 0.78 MMP12 (0.37) KCNN4KCNA5FFAR1LMNAFFAR4
SCHEMBL7361445 0.75 KCNN4 (0.42) KCNN4KCNA5FFAR1LMNAFOLH1
SCHEMBL7361741 0.73 KCNN4 (0.40) KCNN4KCNA5MEN1KMT2AUSP2
SCHEMBL11312464 0.73 KCNN4 (0.46) KCNN4KCNA5MEN1KMT2AFFAR1
SCHEMBL7361441 0.72 FFAR1 (0.44) KCNN4KCNA5MEN1KMT2AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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