SCHEMBL11370920

SCHEMBL11370920

CN(C)C1CCCC1(OC(=O)/C=C/C(=O)OC1(c2ccccc2)CCCC1N(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
OPRL1 P41146 7/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC22A1 O15245 1/20 0.34
CHRM3 P20309 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL11370562 0.86 MAPK1 (0.48) OPRM1SLC6A2SLC6A4MAPK1GAA
SCHEMBL11370401 0.83 LMNA (0.52) OPRM1SLC6A2SLC6A4MAPK1OPRL1
SCHEMBL11370403 0.83 LMNA (0.52) OPRM1SLC6A2SLC6A4MAPK1OPRL1
Fumaric Acid SCHEMBL11370914 0.73 OPRM1 (0.37) OPRM1OPRL1SIGMAR1
Fumaric Acid SCHEMBL11370917 0.73 OPRM1 (0.37) OPRM1OPRL1SIGMAR1
SCHEMBL11384482 0.72 LMNA (0.46) OPRM1SLC6A2SLC6A4LMNADRD3
SCHEMBL11370008 0.72 LMNA (0.48) OPRM1SLC6A2SLC6A4MAPK1LMNA
SCHEMBL11367862 0.70 OPRM1 (0.42) OPRM1SLC6A2SLC6A4LMNADRD3
SCHEMBL11374567 0.69 LMNA (0.46) OPRM1SLC6A2SLC6A4LMNASIGMAR1
SCHEMBL11362437 0.69 OPRL1 (0.42) OPRM1SLC6A2SLC6A4OPRL1

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
US-4291059-A 1-PHENYLCYCLOPENTANOL ACYLATE ESTER AND ITS PREPARATION GLAXO GROUP LIMITED (GB) 1981-09-22 US disclosed