Sugi Predict

Sugi Predict / Compounds / SCHEMBL5069838

SCHEMBL5069838

SCHEMBL5069838

CC1(C)CC(CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CC(O)O1.COc1cc(Cl)cc(C(=O)NCC2(F)CCN(CC(=O)N3[C@H](C)COC[C@H]3C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 18/20 0.54
▸ CACNA1I Q9P0X4 2/20 0.54
▸ SCN5A Q14524 1/20 0.54
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1G O43497 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL14693997 0.87 KCNH2 (0.50) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2886625 0.87 KCNH2 (0.50) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2885871 0.84 KCNH2 (0.73) KCNH2CACNA1ISCN5ACACNA1H
SCHEMBL2889574 0.82 KCNH2 (0.46) KCNH2CACNA1ISCN5ACACNA1G
SCHEMBL2888650 0.82 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2885244 0.82 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2888360 0.77 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2887133 0.74 KCNH2 (0.50) KCNH2CACNA1ISCN5ACACNA1G
SCHEMBL14708773 0.74 KDM4E (0.45) KCNH2CACNA1ISCN5ACACNA1G
SCHEMBL2885565 0.73 KCNH2 (0.49) KCNH2CACNA1ISCN5ACACNA1G

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
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 — — US claimed
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