SCHEMBL4979558

SCHEMBL4979558

N#Cc1ccc(-c2ccccc2)c(CCN(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.48
CYP11B1 P15538 6/20 0.48
CYP19A1 P11511 4/20 0.48
CYP17A1 P05093 1/20 0.42
KCNA5 P22460 3/20 0.39
KCNH2 Q12809 3/20 0.39
IDO1 P14902 2/20 0.36
MAPK1 P28482 1/20 0.36
FLT3 P36888 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL4979253 0.82 CYP11B2 (0.46) CYP11B2CYP11B1KCNA5KCNH2
SCHEMBL4975773 0.82 KCNA5 (0.39) CYP11B2CYP11B1CYP17A1KCNA5KCNH2
SCHEMBL4980305 0.82 KCNA5 (0.39) CYP11B2CYP11B1KCNA5KCNH2MAPK1
SCHEMBL4977530 0.79 CYP11B1 (0.48) CYP11B2CYP11B1CYP19A1KCNA5KCNH2
SCHEMBL4982009 0.77 MKNK1 (0.47) CYP11B2CYP11B1KCNA5KCNH2GAA
SCHEMBL4974371 0.76 KCNA5 (0.50) CYP11B2CYP11B1KCNA5KCNH2ADRA2C
SCHEMBL4977077 0.76 CYP11B1 (0.53) CYP11B2CYP11B1KDM4EGAA
SCHEMBL4977669 0.76 CYP11B1 (0.54) CYP11B2CYP11B1KCNA5KCNH2GLA
SCHEMBL4975675 0.75 MKNK1 (0.47) CYP11B2CYP11B1KCNA5GAA
SCHEMBL4975470 0.75 KCNA5 (0.51) CYP11B2CYP11B1KCNA5KCNH2ADRA2C

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-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed