SCHEMBL13639803

SCHEMBL13639803

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.69
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LMNA P02545 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
HTR3A P46098 2/20 0.48

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
SCHEMBL1372963 0.85 HRH3 (0.74) HRH3HTR3A
SCHEMBL1372959 0.85 HRH3 (0.74) HRH3HTR3A
SCHEMBL16588441 0.85 HRH3 (0.66) HRH3MAOAMAOBLMNANPY1R
SCHEMBL10258996 0.82 HRH3 (1.00) HRH3LMNANPY1RNPY2RHTR3A
SCHEMBL12017607 0.81 HRH3 (0.98) HRH3LMNANPY1RNPY2RHTR3A
SCHEMBL14319716 0.75 HTR3A (0.76) HRH3HTR3A
SCHEMBL27754184 0.75 LMNA (0.47) HRH3LMNANPY1RNPY2R
SCHEMBL1376869 0.74 HRH3 (0.69) HRH3HTR3A
SCHEMBL1375386 0.74 HTR3A (0.78) HRH3HTR3A
SCHEMBL14419243 0.72 KDM4E (0.59) HRH3MAOB

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed