SCHEMBL7998801

SCHEMBL7998801

CCCCCCOc1c(OCCCC)c2ccc(NCC)cc2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
GPR17 Q13304 1/20 0.43
UNG P13051 2/20 0.42
SERPINE1 P05121 2/20 0.40
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GHSR Q92847 1/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 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
SCHEMBL8001153 1.00 AR (0.44) ARGPR17UNGSERPINE1GRIN2D
SCHEMBL7988485 1.00 AR (0.44) ARGPR17UNGSERPINE1GRIN2D
SCHEMBL8001562 0.99 AR (0.45) ARGPR17UNGSERPINE1HSD17B10
SCHEMBL7997203 0.99 AR (0.45) ARGPR17UNGSERPINE1HSD17B10
SCHEMBL8004560 0.96 AR (0.47) ARGPR17UNGSERPINE1GRIN2D
SCHEMBL7998822 0.93 AR (0.43) ARGPR17UNGSERPINE1NPC1
SCHEMBL8000879 0.93 AR (0.43) ARGPR17UNGSERPINE1NPC1
SCHEMBL7997659 0.90 GAA (0.41) ARGPR17UNGSERPINE1MAPT
SCHEMBL7997537 0.89 AR (0.38) ARGPR17UNGSERPINE1HTR1A
SCHEMBL7989467 0.89 AR (0.38) ARGPR17UNGSERPINE1HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
CN-1163268-A Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient LAINIPPON INK AND CHEMICALC IN (JP) 1997-10-29 CN disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed