SCHEMBL6855474

SCHEMBL6855474

CC(C)NC(=O)Cc1cc2cc(OCCCN3CCCCC3=O)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
AXL P30530 1/20 0.40
FFAR1 O14842 1/20 0.40
GRM2 Q14416 2/20 0.40
EGFR P00533 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITK Q08881 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL6857215 0.89 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6855434 0.89 AVPR1B (0.55) AVPR1BAXL
SCHEMBL6856988 0.86 AVPR1B (0.53) AVPR1BEGFR
SCHEMBL6857032 0.86 AVPR1B (0.48) AVPR1BAXL
SCHEMBL6856761 0.86 AVPR1B (0.41) AVPR1BMEN1KMT2AAXLEGFR
SCHEMBL6857044 0.85 AVPR1B (0.48) AVPR1BAXL
SCHEMBL6855437 0.84 AVPR1B (0.49) AVPR1BAXL
SCHEMBL6857168 0.83 AVPR1B (0.46) AVPR1BAXL
SCHEMBL6856671 0.81 AXL (0.48) AVPR1BAXLSMN1; SMN2
SCHEMBL6857005 0.80 AVPR1B (0.55) 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