SCHEMBL3712397

SCHEMBL3712397

CCc1cc(OC2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.57
KCNH2 Q12809 20/20 0.57
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CHRM1 P11229 2/20 0.55
CYP2C9 P11712 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55

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
SCHEMBL3715465 0.93 HRH1 (0.67) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3714703 0.92 KCNH2 (0.56) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3716823 0.91 KCNH2 (0.57) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3712757 0.90 KCNH2 (0.58) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3708439 0.88 HRH3 (0.55) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3708676 0.88 HRH3 (0.67) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3708250 0.85 KCNH2 (0.53) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3718757 0.83 HRH3 (0.64) HRH1KCNH2ADRA1AADRA1BHRH3
SCHEMBL3714207 0.83 HRH3 (0.64) HRH1KCNH2ADRA1AADRA1BHRH3
Formic Acid SCHEMBL3714102 0.83 HRH3 (0.61) HRH1KCNH2ADRA1AADRA1BHRH3

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