SCHEMBL11399729

SCHEMBL11399729

COc1cccc(C23CCN(CC4CCC4)CC2CCC(=O)C3)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.70
OPRD1 P41143 7/20 0.70
OPRK1 P41145 7/20 0.70
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM2B Q8NHM5 2/20 0.45
SIGMAR1 Q99720 3/20 0.43
OPRL1 P41146 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11399726 1.00 OPRM1 (0.70) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL8396856 0.96 OPRD1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL8396855 0.96 OPRD1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL11398571 0.96 OPRD1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7484569 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7484574 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7486453 0.88 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7486456 0.88 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL11395004 0.87 OPRK1 (0.92) OPRM1OPRD1OPRK1
SCHEMBL11395009 0.87 OPRK1 (0.92) OPRM1OPRD1OPRK1

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-4301290-A 4-PHENYL-DECAHYDROISOQUINOLINE DERIVATIVES FOR USE AS ANALGESICS, ANTIDEPRESSANTS, TRANQUILIZERS, SLEEP INDUCERS SANDOZ LTD. (CH) 1981-11-17 US disclosed