SCHEMBL8302760

SCHEMBL8302760

COC(=O)c1cccc(C=Cc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL22887383 1.00 P4HB (0.53) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL8302747 1.00 P4HB (0.53) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL29496343 1.00 P4HB (0.53) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL4407110 0.85 P4HB (0.68) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL11222093 0.85 P4HB (0.68) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL510062 0.84 NPC1 (0.55) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL708541 0.84 NPC1 (0.55) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL24411012 0.84 P4HB (0.62) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL1926762 0.84 P4HB (0.62) P4HBNPC1RAB9AGRIN2DGRIN3B
SCHEMBL1926761 0.84 P4HB (0.62) P4HBNPC1RAB9AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
EP-0533695-B1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER (US) 1994-10-05 EP disclosed
US-5322847-A Inhibit platelet activating factor, block leukotriene D4 receptors PFIZER INC. (US) 1994-06-21 US disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed
WO-1991017163-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER INC. (US) 1991-11-14 WO disclosed