SCHEMBL2880745

SCHEMBL2880745

O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(COCC2CCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.56
KCNH2 Q12809 3/20 0.56
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL1003241 1.00 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL1002682 1.00 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL2891110 0.84 MCHR1 (0.61) MCHR1KCNH2HRH3
SCHEMBL1003034 0.77 MCHR1 (0.55) MCHR1KCNH2HRH3
SCHEMBL1003382 0.76 MCHR1 (0.58) MCHR1KCNH2HRH3
SCHEMBL1003116 0.76 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL1001702 0.76 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL2880179 0.76 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL2571449 0.76 MCHR1 (0.66) MCHR1KCNH2HRH3
SCHEMBL1003752 0.76 MCHR1 (0.86) MCHR1KCNH2HRH3

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-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed