SCHEMBL3717565

SCHEMBL3717565

Cc1ccc2cccc(OC3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.54
HRH1 P35367 8/20 0.54
KCNH2 Q12809 7/20 0.54
ADRA1B P35368 5/20 0.54
ADRA1A P35348 5/20 0.54
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
CYP2D6 P10635 1/20 0.47
NPY1R P25929 1/20 0.46

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
SCHEMBL3709424 0.90 HRH3 (0.54) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3708676 0.88 HRH3 (0.67) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3720054 0.84 HRH3 (0.72) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3718757 0.84 HRH3 (0.64) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3714207 0.84 HRH3 (0.64) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3713221 0.84 HRH3 (0.60) HRH3HRH1KCNH2ADRA1BADRA1A
Formic Acid SCHEMBL3714102 0.83 HRH3 (0.61) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3708439 0.83 HRH3 (0.55) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3713603 0.83 HRH3 (0.52) HRH3HRH1KCNH2ADRA1BADRA1A
Formic Acid SCHEMBL3710295 0.82 HRH3 (0.70) 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 2 patents. 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 claimed
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed