SCHEMBL11809596

SCHEMBL11809596

CCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.91
OPRM1 P35372 1/20 0.66
OPRD1 P41143 1/20 0.50
ACHE P22303 1/20 0.49

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
Bromide SCHEMBL11816423 0.99 DRD3 (0.89) DRD3OPRM1OPRD1ACHE
SCHEMBL11808922 0.96 DRD3 (0.98) DRD3OPRM1
SCHEMBL11813871 0.95 DRD3 (1.00) DRD3OPRM1
Bromide SCHEMBL11812645 0.95 DRD3 (0.95) DRD3OPRM1
SCHEMBL11814580 0.95 DRD3 (1.00) DRD3OPRM1
Bromide SCHEMBL11812525 0.94 DRD3 (0.98) DRD3OPRM1
Bromide SCHEMBL11818169 0.94 DRD3 (0.98) DRD3OPRM1
Ketobemidone SCHEMBL29565806 0.86 DRD3 (0.72) DRD3OPRM1OPRD1ACHE
Ketobemidone SCHEMBL24574 0.86 DRD3 (0.72) DRD3OPRM1OPRD1ACHE
Ketobemidone SCHEMBL9706814 0.85 DRD3 (0.70) DRD3OPRM1OPRD1ACHE

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-3970656-A ANALGESIC GOVERNMENT OF THE UNITED STATES (US) 1976-07-20 US claimed
US-3970656-A ANALGESIC GOVERNMENT OF THE UNITED STATES (US) 1976-07-20 US disclosed