SCHEMBL6856869

SCHEMBL6856869

Cc1c(CC(=O)NC(C)C)c(-c2cccc(Cl)c2)nc2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 10/20 0.45
AVPR1A P37288 8/20 0.42
CDK2 P24941 1/20 0.42
ESRRB O95718 1/20 0.41
ESRRA P11474 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
SCHEMBL6857065 0.89 AVPR1B (0.45) AVPR1BAVPR1A
SCHEMBL6855979 0.87 AVPR1B (0.39) AVPR1BESRRBESRRA
SCHEMBL6856859 0.82 AVPR1B (0.47) AVPR1B
SCHEMBL6857014 0.80 AVPR1B (0.72) AVPR1B
SCHEMBL3132060 0.77 AVPR1B (0.72) AVPR1BAVPR1A
SCHEMBL6856235 0.77 AVPR1B (0.39) AVPR1B
SCHEMBL6857165 0.75 KDM4E (0.51) AVPR1A
SCHEMBL6857432 0.73 AVPR1B (0.43) AVPR1B
SCHEMBL6857026 0.73 AVPR1B (0.48) AVPR1B
SCHEMBL6857408 0.73 AVPR1B (0.48) 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