SCHEMBL28114575

SCHEMBL28114575

CN1CCN(CCCCOc2ccc(=O)n(-c3ccccc3)n2)CC1

nearest known ligand 0.93

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58

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
SCHEMBL28114160 0.89 KCNH2 (0.73) KCNH2
SCHEMBL28114566 0.87 KCNH2 (0.57) KCNH2
SCHEMBL28365254 0.80 SIGMAR1 (0.55) KCNH2
SCHEMBL28114172 0.78 HTT (0.59)
SCHEMBL28365591 0.76 KCNH2 (0.79) KCNH2
SCHEMBL13219371 0.75 HTT (0.70)
SCHEMBL9387596 0.75 ALDH1A1 (0.47) KCNH2
SCHEMBL29502121 0.74 KCNH2 (0.76) KCNH2
SCHEMBL28114577 0.73 KCNH2 (0.94) KCNH2
SCHEMBL28114576 0.72 AVPR2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146404-A Pyridazinone derivative and application thereof 江苏恩华药业股份有限公司 2016-11-23 CN disclosed