SCHEMBL3708491

SCHEMBL3708491

Cc1ccc(OC2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.54
KCNH2 Q12809 6/20 0.54
HRH1 P35367 5/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 3/20 0.54
CYP2D6 P10635 1/20 0.49
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

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
SCHEMBL3713603 0.93 HRH3 (0.52) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3709627 0.90 HRH3 (0.54) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3713716 0.90 HRH3 (0.54) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3706356 0.86 HRH3 (0.52) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3708676 0.85 HRH3 (0.67) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3717093 0.84 HRH3 (0.61) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3716823 0.83 KCNH2 (0.57) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3718757 0.81 HRH3 (0.64) HRH3KCNH2HRH1ADRA1AADRA1B
SCHEMBL3714207 0.81 HRH3 (0.64) HRH3KCNH2HRH1ADRA1AADRA1B
Formic Acid SCHEMBL3714102 0.81 HRH3 (0.61) HRH3KCNH2HRH1ADRA1AADRA1B

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