SCHEMBL6857013

SCHEMBL6857013

CC(C)NC(=O)Cc1cc2cc(N3CCC(N(C)C)CC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.42
ACACB O00763 2/20 0.41
NPY5R Q15761 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
WDR5 P61964 1/20 0.37
MELK Q14680 2/20 0.36
SLC9A1 P19634 1/20 0.35
SETD2 Q9BYW2 1/20 0.35

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
SCHEMBL6857500 0.87 AVPR1B (0.41) AVPR1BACACBNPY5RMELKSLC9A1
SCHEMBL6856269 0.86 AVPR1B (0.40) AVPR1BACACB
SCHEMBL6856002 0.85 SOS1 (0.39) AVPR1BACACBMELK
SCHEMBL6857414 0.85 AVPR1B (0.38) AVPR1BACACB
SCHEMBL6857094 0.84 ENPP2 (0.41) AVPR1B
SCHEMBL6857218 0.82 ACACB (0.45) AVPR1BACACB
SCHEMBL6856192 0.81 AVPR1B (0.46) AVPR1B
SCHEMBL6857370 0.80 TRPV1 (0.39) AVPR1BTRPV1
SCHEMBL6857380 0.79 TRPV1 (0.38) AVPR1BTRPV1
SCHEMBL6857227 0.79 HRH3 (0.48) AVPR1BACACB

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