SCHEMBL6857488

SCHEMBL6857488

COc1cc(-c2nc3ccc(OC4CCN(C(C)C)CC4)cc3cc2CC(=O)NC(C)C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.47
AVPR1B P47901 8/20 0.43

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
SCHEMBL6856504 0.91 HRH3 (0.43) HRH3AVPR1B
SCHEMBL6856915 0.90 AVPR1B (0.40) AVPR1B
SCHEMBL6857227 0.90 HRH3 (0.48) HRH3AVPR1B
SCHEMBL6856267 0.82 AVPR1B (0.46) HRH3AVPR1B
SCHEMBL6857409 0.81 AVPR1B (0.43) AVPR1B
SCHEMBL6857474 0.81 AVPR1B (0.45) HRH3AVPR1B
SCHEMBL6856694 0.81 HRH3 (0.41) HRH3AVPR1B
SCHEMBL6857383 0.81 AVPR1B (0.42) AVPR1B
SCHEMBL6856882 0.81 AVPR1B (0.52) HRH3AVPR1B
SCHEMBL6856885 0.81 HRH3 (0.44) HRH3AVPR1B

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