SCHEMBL5067690

SCHEMBL5067690

COc1cc(Cl)cc(C(=O)NCC2(F)CCN(CC(=O)NC(C)CC3CC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.51
CACNA1I Q9P0X4 5/20 0.49
SCN5A Q14524 1/20 0.49
CACNA1H O95180 2/20 0.43
CACNA1G O43497 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL2885634 0.82 KCNH2 (0.62) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2889546 0.81 KCNH2 (0.57) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2882484 0.81 KCNH2 (0.61) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2886862 0.79 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL8250765 0.78 KCNH2 (0.56) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL14708784 0.78 CACNA1I (0.59) KCNH2CACNA1ICACNA1HCACNA1GKMT2A
SCHEMBL14693997 0.78 KCNH2 (0.50) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2886625 0.78 KCNH2 (0.50) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2889559 0.78 KCNH2 (0.83) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2887666 0.76 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1HCACNA1G

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-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP claimed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO claimed