SCHEMBL6856889

SCHEMBL6856889

COc1cc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(C)c2CC(=O)NC(C)C)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.56
ATM Q13315 1/20 0.44
ESR1 P03372 1/20 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
SCHEMBL6856705 0.90 AVPR1B (0.58) AVPR1BATMESR1
SCHEMBL6855700 0.87 AVPR1B (0.49) AVPR1BATM
SCHEMBL6857014 0.86 AVPR1B (0.72) AVPR1B
SCHEMBL3114824 0.84 AVPR1B (0.79) AVPR1B
SCHEMBL6857472 0.84 AVPR1B (0.51) AVPR1B
SCHEMBL6855740 0.83 AVPR1B (0.51) AVPR1B
SCHEMBL6857408 0.82 AVPR1B (0.48) AVPR1B
SCHEMBL6857266 0.81 AVPR1B (0.49) AVPR1B
SCHEMBL6857265 0.81 AVPR1B (0.48) AVPR1BESR1
SCHEMBL6856267 0.81 AVPR1B (0.46) AVPR1B

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