SCHEMBL8306840

SCHEMBL8306840

N#Cc1cccc(C(O)c2cccc(C=Cc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.57
CYSLTR2 Q9NS75 11/20 0.57
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 2/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8306839 1.00 CYSLTR1 (0.57) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8302716 0.89 CYSLTR1 (0.54) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8302719 0.89 CYSLTR1 (0.54) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8305462 0.87 CYSLTR2 (0.64) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8305465 0.87 CYSLTR2 (0.64) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8307551 0.81 CYSLTR1 (0.53) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL8307557 0.81 CYSLTR1 (0.53) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL10763329 0.79 CYSLTR2 (0.64) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL9835518 0.76 CYSLTR2 (0.60) CYSLTR1CYSLTR2LMNAKDM4ERAB9A
SCHEMBL9835508 0.76 CYSLTR2 (0.60) CYSLTR1CYSLTR2LMNAKDM4ERAB9A

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 3 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
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