SCHEMBL9836508

SCHEMBL9836508

CCOC(=O)CCc1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.70
CYSLTR1 Q9Y271 12/20 0.70
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
GLA P06280 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9836512 1.00 CYSLTR2 (0.70) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL9837331 0.85 CYSLTR2 (0.65) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL9837337 0.85 CYSLTR2 (0.65) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL711192 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL711191 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9837804 0.79 CYSLTR2 (0.60) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL9837811 0.79 CYSLTR2 (0.60) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL7831723 0.77 CYSLTR2 (0.66) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL7831718 0.77 CYSLTR2 (0.66) CYSLTR2CYSLTR1NPC1RAB9AKDM4E
SCHEMBL7496756 0.77 CYSLTR2 (0.68) CYSLTR2CYSLTR1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP claimed
EP-0219308-A2 2-Substituted quinolines MERCK FROSST CANADA INC. (CA) 1987-04-22 EP claimed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed
EP-0219308-A2 2-Substituted quinolines MERCK FROSST CANADA INC. (CA) 1987-04-22 EP disclosed