SCHEMBL5772279

SCHEMBL5772279

O=C(O)C1CCCN(Cc2cccc(C#CCCN3CCCCC3)c2)C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70

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
SCHEMBL3907912 0.87 ALDH1A1 (0.64) HRH3
SCHEMBL3903480 0.82 HRH3 (1.00) HRH3
SCHEMBL10964470 0.82 HRH3 (0.59) HRH3
SCHEMBL3901865 0.82 HRH3 (1.00) HRH3
SCHEMBL3896019 0.82 HRH3 (1.00) HRH3
SCHEMBL3897106 0.82 HRH3 (1.00) HRH3
SCHEMBL3900704 0.81 HRH3 (0.97) HRH3
SCHEMBL5772897 0.81 HRH3 (0.58) HRH3
SCHEMBL3896005 0.81 HRH3 (0.81) HRH3
SCHEMBL5767930 0.78 HRH3 (0.77) HRH3

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-1451167-B1 PHENYLALKYNES ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP claimed