SCHEMBL4942552

SCHEMBL4942552

Cn1cc(N2CC3(CCN(c4ccc(OC5CCN(C6CCC6)CC5)cc4)CC3)CC2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.44
KCNH2 Q12809 4/20 0.42
HRH1 P35367 1/20 0.42
ADRA1A P35348 2/20 0.41

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
SCHEMBL737500 0.85 HRH3 (0.42) HRH3KCNH2HRH1
SCHEMBL736866 0.83 HRH3 (0.43) HRH3KCNH2HRH1
SCHEMBL736063 0.75 HRH3 (0.43) HRH3KCNH2HRH1
SCHEMBL736905 0.73 HRH3 (0.45) HRH3KCNH2
SCHEMBL737473 0.72 HRH3 (0.41) HRH3
SCHEMBL738432 0.72 HRH3 (0.44) HRH3KCNH2HRH1
SCHEMBL735700 0.72 HRH3 (0.45) HRH3KCNH2HRH1
SCHEMBL738185 0.71 HRH3 (0.47) HRH3KCNH2HRH1ADRA1A
SCHEMBL736550 0.71 HRH3 (0.43) HRH3KCNH2HRH1
SCHEMBL736993 0.71 HRH3 (0.42) HRH3KCNH2HRH1

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-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed