SCHEMBL28114566

SCHEMBL28114566

O=c1ccc(OCCCCN2CCOCC2)nn1-c1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 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
SCHEMBL28365254 0.93 SIGMAR1 (0.55) KCNH2
SCHEMBL28114160 0.88 KCNH2 (0.73) KCNH2
SCHEMBL28114575 0.87 KCNH2 (0.58) KCNH2
SCHEMBL28114153 0.84 KCNH2 (0.76) KCNH2
SCHEMBL28369155 0.80 KCNH2 (0.80) KCNH2
SCHEMBL238887 0.74 SIGMAR1 (0.54)
SCHEMBL28114172 0.74 HTT (0.59)
SCHEMBL31466386 0.74 SIGMAR1 (0.78) KCNH2
SCHEMBL28365591 0.73 KCNH2 (0.79) KCNH2
SCHEMBL6988597 0.72 SIGMAR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153859-B Pyridazinone derivative and application thereof 江苏恩华药业股份有限公司 2021-09-03 CN disclosed
CN-111153859-A Pyridazinone derivative and application thereof 江苏恩华药业股份有限公司 2020-05-15 CN disclosed
CN-106146404-B Pyridazinone derivative and application thereof 江苏恩华药业股份有限公司 2020-03-20 CN disclosed
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