SCHEMBL11079745

SCHEMBL11079745

CCCCCCNC1(c2cccc(O)c2)CCC(N(CC)c2ccc(Cl)cc2OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.34
SLC6A4 P31645 1/20 0.34
HTR3A P46098 3/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL11070716 0.99 OPRM1 (0.34) OPRM1SLC6A4HTR3A
SCHEMBL11069877 0.84 OPRM1 (0.35) OPRM1SLC6A4HTR3A
SCHEMBL11079742 0.82 OPRM1 (0.36) OPRM1SLC6A4HTR3ADRD3
SCHEMBL11070717 0.81 OPRM1 (0.38) OPRM1SLC6A4HTR3A
SCHEMBL11075481 0.81 OPRM1 (0.38) OPRM1SLC6A4HTR3A
SCHEMBL11069869 0.80 OPRM1 (0.36) OPRM1SLC6A4HTR3A
SCHEMBL11076803 0.79 OPRM1 (0.35) OPRM1SLC6A4HTR3A
SCHEMBL11071918 0.77 OPRM1 (0.36) OPRM1SLC6A4HTR3A
SCHEMBL11071938 0.76 OPRK1 (0.40) OPRM1SLC6A4
SCHEMBL11069989 0.74 DRD3 (0.35) OPRM1SLC6A4DRD3

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