SCHEMBL11654239

SCHEMBL11654239

CC(C)=CCN1CCC2(C)c3cc(OC(=O)c4cccnc4)ccc3CC1C2C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.61
OPRD1 P41143 4/20 0.61
OPRK1 P41145 4/20 0.61
SIGMAR1 Q99720 10/20 0.58
TMEM97 Q5BJF2 4/20 0.58
EBP Q15125 1/20 0.58

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
SCHEMBL11659331 0.90 OPRM1 (0.65) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL11652227 0.84 SIGMAR1 (0.71) OPRM1OPRD1OPRK1SIGMAR1TMEM97
Carbamic Acid SCHEMBL6120538 0.82 OPRM1 (0.62) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL42095 0.81 OPRM1 (0.65) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL11652971 0.80 SIGMAR1 (0.43) OPRM1OPRD1OPRK1SIGMAR1EBP
SCHEMBL11051972 0.78 OPRM1 (0.61) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL20820889 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL16557090 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL19199921 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL16557099 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97

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-4105659-A ANTAGONISTS, ANALGESICS STERLING DRUG INC. (US) 1978-08-08 US disclosed