SCHEMBL6855700

SCHEMBL6855700

COc1cc(-c2nc3ccc(OCCCN4CCCCC4)cc3cc2CC(=O)NC(C)C)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.49
ATM Q13315 2/20 0.45
HRH3 Q9Y5N1 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 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
SCHEMBL6856267 0.93 AVPR1B (0.46) AVPR1BHRH3
SCHEMBL6857474 0.93 AVPR1B (0.45) AVPR1BHRH3
SCHEMBL6855434 0.90 AVPR1B (0.55) AVPR1BATMHRH3
SCHEMBL6857215 0.90 AVPR1B (0.55) AVPR1BATMHRH3
SCHEMBL6856882 0.88 AVPR1B (0.52) AVPR1BHRH3
SCHEMBL6856889 0.87 AVPR1B (0.56) AVPR1BATM
SCHEMBL6856187 0.87 AVPR1B (0.65) AVPR1BHRH3
SCHEMBL6857205 0.85 AVPR1B (0.65) AVPR1B
SCHEMBL6855437 0.84 AVPR1B (0.49) AVPR1BATMHRH3PDE3BPDE3A
SCHEMBL6857032 0.83 AVPR1B (0.48) AVPR1BATMHRH3

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