SCHEMBL11264109

SCHEMBL11264109

CCOC(=O)CC(=O)C1(c2ccccc2)CCN(C(=O)OCC)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.55
OPRD1 P41143 8/20 0.55
OPRK1 P41145 7/20 0.55
KCNH2 Q12809 2/20 0.55
SLC22A1 O15245 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
APP P05067 2/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9194236 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL9316412 0.85 SMN1; SMN2 (0.56) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL12194704 0.80 KCNA3 (0.59) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL22874143 0.80 APP (0.56) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL21581202 0.79 OPRD1 (0.63) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL2468907 0.79 ALDH1A1 (0.60) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL10925058 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL20004190 0.76 HSD11B1 (0.60) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL16130068 0.75 OPRM1 (0.67) OPRM1OPRD1OPRK1KCNH2SLC22A1
SCHEMBL11280783 0.75 APP (0.49) OPRM1OPRD1OPRK1KCNH2SLC22A1

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-4321379-A NEUROLEPTIC AGENTS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1982-03-23 US disclosed