SCHEMBL6856885

SCHEMBL6856885

CC(C)NC(=O)Cc1cc2cc(OC3CCN(C4CCC4)CC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.44
AVPR1B P47901 1/20 0.42
KCNH2 Q12809 2/20 0.41
ACACB O00763 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
SCHEMBL6856624 0.98 AVPR1B (0.43) HRH3AVPR1BKCNH2ACACB
SCHEMBL6856694 0.98 HRH3 (0.41) HRH3AVPR1BKCNH2ACACB
SCHEMBL6857227 0.91 HRH3 (0.48) HRH3AVPR1BACACB
SCHEMBL6857457 0.89 HRH1 (0.43) KCNH2ACACB
SCHEMBL6856504 0.89 HRH3 (0.43) HRH3AVPR1BKCNH2
SCHEMBL6856819 0.88 AVPR1B (0.41) HRH3AVPR1BACACB
SCHEMBL6857218 0.88 ACACB (0.45) HRH3AVPR1BKCNH2ACACB
SCHEMBL6856447 0.88 ACACB (0.40) HRH3AVPR1BACACB
SCHEMBL6856195 0.85 MALT1 (0.44) HRH3ACACB
SCHEMBL6856801 0.85 HRH3 (0.43) HRH3AVPR1BKCNH2ACACB

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-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed