SCHEMBL6856882

SCHEMBL6856882

COc1cc(-c2nc3ccc(OCCCN4CCC[C@H]4C)cc3cc2CC(=O)NC(C)C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.52
HTR3A P46098 3/20 0.44
HRH3 Q9Y5N1 16/20 0.43
KCNH2 Q12809 2/20 0.42

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
SCHEMBL6856267 0.88 AVPR1B (0.46) AVPR1BHRH3
SCHEMBL6857474 0.88 AVPR1B (0.45) AVPR1BHRH3
SCHEMBL6855700 0.88 AVPR1B (0.49) AVPR1BHRH3
SCHEMBL6857488 0.81 HRH3 (0.47) AVPR1BHRH3
SCHEMBL16424040 0.81 AVPR1B (0.55) AVPR1BHTR3AHRH3KCNH2
SCHEMBL6856504 0.79 HRH3 (0.43) AVPR1BHRH3KCNH2
SCHEMBL6857032 0.79 AVPR1B (0.48) AVPR1BHRH3
SCHEMBL6856915 0.78 AVPR1B (0.40) AVPR1BKCNH2
SCHEMBL6856790 0.78 AVPR1B (0.39) AVPR1BHRH3
SCHEMBL6857044 0.78 AVPR1B (0.48) AVPR1BHRH3

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