SCHEMBL11079586

SCHEMBL11079586

CCCCCN(C)C1(c2cccc(O)c2)CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.44
DRD3 P35462 8/20 0.44
HTR1A P08908 7/20 0.43
DRD1 P21728 7/20 0.43
DRD4 P21917 7/20 0.43
DRD5 P21918 7/20 0.43
DRD2 P14416 6/20 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 0.97 OPRD1 (0.45) OPRM1OPRD1DRD3HTR1ADRD1
SCHEMBL11076003 0.93 OPRD1 (0.47) OPRM1OPRD1
SCHEMBL11079138 0.89 DRD3 (0.43) OPRM1DRD3HTR1ADRD1DRD4
SCHEMBL11076093 0.89 OPRL1 (0.50) OPRM1OPRD1
SCHEMBL11079767 0.88 OPRD1 (0.49) OPRM1OPRD1
SCHEMBL11066160 0.86 OPRL1 (0.54) OPRM1DRD3HTR1ADRD1DRD4
SCHEMBL11075471 0.86 OPRM1 (0.44) OPRM1DRD3HTR1ADRD1DRD4
SCHEMBL11077290 0.85 OPRD1 (0.55) OPRM1OPRD1
SCHEMBL11077122 0.84 OPRM1 (0.41) OPRM1OPRD1DRD3HTR1ADRD1
SCHEMBL11066674 0.84 OPRD1 (0.47) OPRM1OPRD1

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