SCHEMBL3786278

SCHEMBL3786278

c1ccc(Cc2cc(OC3CCNCC3)c3ncccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.53
NMT1 P30419 9/20 0.49
KCNH2 Q12809 3/20 0.44

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
SCHEMBL3790744 0.91 HRH1 (0.48) HRH1KCNH2
SCHEMBL3713864 0.86 HRH1 (0.50) HRH1KCNH2
SCHEMBL1148343 0.82 HRH1 (0.64) HRH1KCNH2
SCHEMBL1148340 0.81 HRH1 (0.60) HRH1KCNH2
SCHEMBL3784146 0.80 HTR1A (0.45) HRH1NMT1
SCHEMBL3051097 0.80 HRH1 (0.59) HRH1KCNH2
SCHEMBL3781660 0.79 TMEM97 (0.55) HRH1NMT1KCNH2
SCHEMBL3715640 0.77 DDB1 (0.53) HRH1
SCHEMBL3782915 0.77 HRH1 (0.60) HRH1NMT1
SCHEMBL3715445 0.76 HRH1 (0.48) HRH1KCNH2

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