SCHEMBL19475378

SCHEMBL19475378

CCC(=O)OC1(c2ccccc2)CCN(CC)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.68
OPRM1 P35372 7/20 0.66
OPRD1 P41143 7/20 0.66
OPRK1 P41145 7/20 0.66
LMNA P02545 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL11458105 0.90 DRD3 (0.67) DRD3OPRM1OPRD1OPRK1LMNA
Hydrochloric Acid SCHEMBL29704406 0.88 DRD3 (0.58) DRD3OPRM1OPRD1OPRK1DRD2
SCHEMBL19717856 0.88 DRD3 (0.64) DRD3OPRM1OPRD1OPRK1LMNA
SCHEMBL614226 0.87 OPRM1 (0.71) DRD3OPRM1OPRD1OPRK1LMNA
SCHEMBL28398971 0.86 OPRM1 (0.65) DRD3OPRM1OPRD1OPRK1LMNA
Hydrochloric Acid SCHEMBL3321232 0.86 OPRM1 (0.70) DRD3OPRM1OPRD1OPRK1LMNA
SCHEMBL15734501 0.84 DRD3 (0.70) DRD3OPRM1OPRD1OPRK1LMNA
Hydrochloric Acid SCHEMBL32659731 0.84 DRD3 (0.51) DRD3OPRM1OPRD1OPRK1LMNA
SCHEMBL22790441 0.82 OPRM1 (0.60) DRD3OPRM1OPRD1OPRK1LMNA
Hydrochloric Acid SCHEMBL29427652 0.81 DRD3 (0.68) DRD3OPRM1OPRD1OPRK1LMNA

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
WO-2017184584-A1 STABLE PACKAGING SYSTEM FOR MOISTURE AND OXYGEN SENSITIVE PHARMACEUTICAL DOSAGE FORMS ASCENT PHARMACEUTICALS, INC. (US) 2017-10-26 WO disclosed