SCHEMBL6856761

SCHEMBL6856761

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.41
EGFR P00533 4/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
P2RY12 Q9H244 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
ERBB2 P04626 3/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37
MEN1 O00255 1/20 0.37

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 0.89 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6857215 0.89 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6857216 0.87 AVPR1B (0.49) AVPR1BPDE3BPDE3AP2RY12
SCHEMBL6856988 0.86 AVPR1B (0.53) AVPR1BEGFR
SCHEMBL6857032 0.86 AVPR1B (0.48) AVPR1BAXL
SCHEMBL6855474 0.86 AVPR1B (0.46) AVPR1BEGFRMEN1KMT2AAXL
SCHEMBL6857044 0.86 AVPR1B (0.48) AVPR1BAXL
SCHEMBL6857370 0.85 TRPV1 (0.39) AVPR1BTRPV1CNR1CNR2
SCHEMBL6857432 0.85 AVPR1B (0.43) AVPR1BEGFRHDAC3HDAC4HDAC1
SCHEMBL6857380 0.84 TRPV1 (0.38) AVPR1BTRPV1CNR2

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