SCHEMBL11078596

SCHEMBL11078596

CN(C)C1(c2cccc(O)c2)CCC(N2CCOCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.72
▸ OPRD1 P41143 3/20 0.44
▸ OPRK1 P41145 6/20 0.42
▸ OPRM1 P35372 5/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL11077290 0.86 OPRD1 (0.55) OPRL1OPRD1OPRK1OPRM1
SCHEMBL11066160 0.86 OPRL1 (0.54) OPRL1OPRM1TACR1SLC6A4
SCHEMBL11069247 0.83 OPRL1 (0.69) OPRL1OPRD1OPRK1OPRM1SLC6A2
SCHEMBL11081934 0.83 OPRL1 (0.51) OPRL1OPRD1OPRK1OPRM1SLC6A2
Hydrochloric Acid SCHEMBL11075754 0.83 OPRL1 (1.00) OPRL1OPRK1OPRM1TACR1
SCHEMBL11074165 0.77 OPRL1 (0.44) OPRL1OPRK1OPRM1
SCHEMBL11069061 0.76 OPRL1 (0.75) OPRL1IRAK4
SCHEMBL11079767 0.76 OPRD1 (0.49) OPRL1OPRD1OPRK1OPRM1TACR1
SCHEMBL11076919 0.75 OPRL1 (0.43) OPRL1OPRD1OPRK1OPRM1SLC6A2
Hydrochloric Acid SCHEMBL11073610 0.75 OPRL1 (0.76) OPRL1IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 — — US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 — — US disclosed
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