SCHEMBL6857005

SCHEMBL6857005

CC(C)NC(=O)Cc1cc2cc(OCCCN3CCCCC3)ncc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.55
ATM Q13315 7/20 0.50
PRKDC P78527 1/20 0.46
AXL P30530 1/20 0.45
KCNH2 Q12809 2/20 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
SCHEMBL6857187 0.93 AVPR1B (0.49) AVPR1BATM
SCHEMBL6855434 0.90 AVPR1B (0.55) AVPR1BATMAXL
SCHEMBL6857215 0.90 AVPR1B (0.55) AVPR1BATMAXL
SCHEMBL6856227 0.88 AVPR1B (0.55) AVPR1BATMPRKDCAXLKCNH2
SCHEMBL6856154 0.86 AVPR1B (0.55) AVPR1BATMAXL
SCHEMBL6855437 0.84 AVPR1B (0.49) AVPR1BATMAXL
SCHEMBL6857446 0.84 AVPR1B (0.52) AVPR1B
SCHEMBL6857032 0.83 AVPR1B (0.48) AVPR1BATMAXL
SCHEMBL6856988 0.83 AVPR1B (0.53) AVPR1BATM
SCHEMBL6857044 0.83 AVPR1B (0.48) AVPR1BAXL

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