SCHEMBL11069989

SCHEMBL11069989

CCCCCCNC1(c2cccc(O)c2)CCC(N(CCC)c2cc(C)cc(C)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.35
OPRM1 P35372 4/20 0.35
SLC6A4 P31645 1/20 0.35
HTR1A P08908 5/20 0.34
DRD2 P14416 5/20 0.34
DRD1 P21728 5/20 0.34
DRD4 P21917 5/20 0.34
DRD5 P21918 5/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33

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
SCHEMBL11077378 0.83 OPRM1 (0.36) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11069985 0.81 OPRM1 (0.40) DRD3OPRM1SLC6A4HTR1ADRD2
SCHEMBL11077880 0.80 OPRM1 (0.39) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11075758 0.80 OPRM1 (0.43) DRD3OPRM1SLC6A4HTR1ADRD2
SCHEMBL11076126 0.79 DRD3 (0.37) DRD3OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11066081 0.78 OPRM1 (0.37) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11077371 0.77 OPRM1 (0.37) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11069660 0.76 OPRM1 (0.46) DRD3OPRM1DRD2OPRD1OPRK1
SCHEMBL11073297 0.75 OPRM1 (0.38) OPRM1SLC6A4OPRD1OPRK1
SCHEMBL11079745 0.74 OPRM1 (0.34) DRD3OPRM1SLC6A4

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