SCHEMBL12017441

SCHEMBL12017441

O=C1CCC(c2ccc(OCCCN3CCCC3)cc2)=NN1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.62
KCNH2 Q12809 1/20 0.43
HTR3A P46098 2/20 0.43

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
SCHEMBL1375832 0.85 HRH3 (0.73) HRH3KCNH2HTR3A
SCHEMBL10267278 0.79 HRH3 (0.69) HRH3KCNH2HTR3A
SCHEMBL13119068 0.78 HRH3 (0.70) HRH3KCNH2HTR3A
SCHEMBL1372800 0.77 HRH3 (1.00) HRH3KCNH2HTR3A
SCHEMBL1372883 0.72 HRH3 (0.70) HRH3KCNH2HTR3A
SCHEMBL21004113 0.69 HRH3 (0.84) HRH3
SCHEMBL28285426 0.68 HRH3 (0.88) HRH3
SCHEMBL10258996 0.68 HRH3 (1.00) HRH3KCNH2HTR3A
SCHEMBL1374345 0.68 HRH3 (1.00) HRH3KCNH2HTR3A
SCHEMBL1374343 0.68 HRH3 (1.00) HRH3KCNH2HTR3A

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
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed