SCHEMBL5685807

SCHEMBL5685807

COc1c(C(C)(C)C)cc(C(=O)N[C@@H](C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C2CCNC2)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 19/20 0.57

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
SCHEMBL5633763 1.00 KCNH2 (0.57) KCNH2
SCHEMBL5686068 1.00 KCNH2 (0.57) KCNH2
SCHEMBL5659658 0.91 KCNH2 (0.47) KCNH2
SCHEMBL5632886 0.90 KCNH2 (0.52) KCNH2
SCHEMBL5635448 0.89 KCNH2 (0.47) KCNH2
SCHEMBL5633517 0.89 KCNH2 (0.58) KCNH2
SCHEMBL5634472 0.88 KCNH2 (0.54) KCNH2
SCHEMBL5635873 0.86 KCNH2 (0.53) KCNH2
SCHEMBL5685747 0.84 KCNH2 (0.53) KCNH2
SCHEMBL5685734 0.84 KCNH2 (0.53) KCNH2

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
JP-2006526000-A 2006-11-16 JP claimed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP claimed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO claimed