SCHEMBL16557009

SCHEMBL16557009

COCc1ccc2ccc(N(c3ccc4ccc(COC)nc4c3)c3ccc4ccc(COCO)nc4c3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.35
PDE10A Q9Y233 5/20 0.34
APP P05067 1/20 0.34
CYSLTR1 Q9Y271 4/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
ALOX5 P09917 2/20 0.33
CYP1A2 P05177 1/20 0.32
S1PR4 O95977 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32

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
SCHEMBL16557000 0.93 PDE10A (0.34) PDE10ACYSLTR1GPBAR1ALOX5CYP1A2
SCHEMBL14930063 0.87 CYP1A2 (0.40) TERTPDE10AAPPCYSLTR1GPBAR1
SCHEMBL16557013 0.85 GPBAR1 (0.37) PDE10ACYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL16557004 0.79 PDE10A (0.33) PDE10ACYP1A2
SCHEMBL12517340 0.74 CCR1 (0.48) TERTPDE10AAPPCYSLTR1GPBAR1
SCHEMBL12517339 0.74 PDE10A (0.41) TERTPDE10ACYSLTR1GPBAR1ALOX5
SCHEMBL12516490 0.71 TERT (0.50) TERTPDE10AAPPCYSLTR1GPBAR1
SCHEMBL16601918 0.71 TERT (0.43) TERTPDE10AAPPCYSLTR1GPBAR1
SCHEMBL14925257 0.69 PDE10A (0.38) TERTPDE10ACYSLTR1GPBAR1ALOX5
SCHEMBL30824506 0.68 CYSLTR1 (0.62) PDE10ACYSLTR1GPBAR1CYP1A2CYSLTR2

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
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed