SCHEMBL3717093

SCHEMBL3717093

Cc1ccc2cccnc2c1OC1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.61
HRH1 P35367 7/20 0.61
KCNH2 Q12809 6/20 0.61
ADRA1B P35368 5/20 0.61
ADRA1A P35348 4/20 0.61
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3718422 0.90 HRH3 (0.61) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3708676 0.85 HRH3 (0.67) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3708491 0.84 HRH3 (0.54) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3716823 0.83 KCNH2 (0.57) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3714207 0.81 HRH3 (0.64) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3717565 0.81 HRH3 (0.54) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3718757 0.81 HRH3 (0.64) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3712397 0.81 HRH1 (0.57) HRH3HRH1KCNH2ADRA1BADRA1A
Formic Acid SCHEMBL3714102 0.81 HRH3 (0.61) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3712757 0.81 KCNH2 (0.58) HRH3HRH1KCNH2ADRA1BADRA1A

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
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed