SCHEMBL6856988

SCHEMBL6856988

CC(C)NC(=O)Cc1cc2cc(OCCCN3CCOCC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.53
HRH3 Q9Y5N1 1/20 0.50
EGFR P00533 2/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
ATM Q13315 1/20 0.45
MIF P14174 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
SCHEMBL6855434 0.93 AVPR1B (0.55) AVPR1BHRH3ATM
SCHEMBL6857215 0.93 AVPR1B (0.55) AVPR1BHRH3ATM
SCHEMBL6857032 0.93 AVPR1B (0.48) AVPR1BHRH3ATM
SCHEMBL6857187 0.90 AVPR1B (0.49) AVPR1BHRH3EGFRATM
SCHEMBL6857044 0.90 AVPR1B (0.48) AVPR1BHRH3
SCHEMBL6857276 0.90 ATM (0.50) AVPR1BHRH3EGFRATM
SCHEMBL6855518 0.89 AVPR1B (0.66) AVPR1BHRH3
SCHEMBL6857502 0.89 AVPR1B (0.51) AVPR1BHRH3EGFRATM
SCHEMBL6857248 0.88 AVPR1B (0.55) AVPR1BEGFR
SCHEMBL6855437 0.87 AVPR1B (0.49) AVPR1BHRH3ATM

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