SCHEMBL11076093

SCHEMBL11076093

CCCCN(C)C1(c2cccc(O)c2)CCC(N2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.50
OPRM1 P35372 4/20 0.46
OPRK1 P41145 2/20 0.44
OPRD1 P41143 1/20 0.44
SLC6A4 P31645 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL11076056 0.92 OPRD1 (0.45) OPRL1OPRM1OPRD1
SCHEMBL11075471 0.91 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL11066160 0.91 OPRL1 (0.54) OPRL1OPRM1SLC6A4
SCHEMBL11079586 0.89 OPRM1 (0.46) OPRM1OPRD1
SCHEMBL11079138 0.88 DRD3 (0.43) OPRL1OPRM1
SCHEMBL11073866 0.86 OPRM1 (0.41) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11076003 0.85 OPRD1 (0.47) OPRL1OPRM1OPRD1SLC6A4ACHE
SCHEMBL11069968 0.84 OPRL1 (0.41) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11077122 0.83 OPRM1 (0.41) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11074293 0.81 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1SLC6A4

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