SCHEMBL16588441

SCHEMBL16588441

N=Cc1cc(OCCCN2CCCC2)ccc1C1=NNC(=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.66
MAOA P21397 5/20 0.49
MAOB P27338 5/20 0.49
HTR3A P46098 1/20 0.46
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL13639803 0.85 HRH3 (0.69) HRH3MAOAMAOBHTR3ALMNA
SCHEMBL10258996 0.80 HRH3 (1.00) HRH3HTR3ALMNANPY1RNPY2R
SCHEMBL12017607 0.79 HRH3 (0.98) HRH3HTR3ALMNANPY1RNPY2R
SCHEMBL1372959 0.71 HRH3 (0.74) HRH3HTR3A
SCHEMBL1372963 0.71 HRH3 (0.74) HRH3HTR3A
SCHEMBL1375275 0.69 HRH3 (0.68) HRH3MAOAMAOBHTR3ALMNA
SCHEMBL14310785 0.69 HRH3 (0.75) HRH3MAOAMAOB
SCHEMBL1796426 0.69 HRH3 (0.71) HRH3HTR3A
SCHEMBL1793430 0.69 HRH3 (0.71) HRH3HTR3A
SCHEMBL1795300 0.68 HRH3 (0.73) HRH3HTR3A

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-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed