SCHEMBL3710291

SCHEMBL3710291

O=COC(=O)CCc1ccc2cccc(OC3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.59
HRH1 P35367 11/20 0.59
KCNH2 Q12809 11/20 0.59
ADRA1B P35368 7/20 0.59
ADRA1A P35348 7/20 0.49
NPY1R P25929 1/20 0.41

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
SCHEMBL3713221 0.91 HRH3 (0.60) HRH3HRH1KCNH2ADRA1BADRA1A
Formic Acid SCHEMBL3710295 0.90 HRH3 (0.70) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3720054 0.90 HRH3 (0.72) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3712040 0.86 HRH3 (0.42) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3709424 0.84 HRH3 (0.54) HRH3HRH1KCNH2ADRA1BADRA1A
Formic Acid SCHEMBL3714102 0.82 HRH3 (0.61) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3717565 0.81 HRH3 (0.54) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3708676 0.80 HRH3 (0.67) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3711508 0.79 HRH1 (0.64) HRH3HRH1KCNH2ADRA1BADRA1A
SCHEMBL3711533 0.77 HRH1 (0.74) 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