SCHEMBL11068638

SCHEMBL11068638

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
OPRL1 P41146 3/20 0.52
DRD3 P35462 1/20 0.43
SLC6A4 P31645 1/20 0.40
OPRD1 P41143 1/20 0.39
HTR7 P34969 1/20 0.38

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
Ethylene SCHEMBL10833583 0.98 OPRM1 (0.50) OPRM1OPRL1DRD3SLC6A4OPRD1
SCHEMBL11093314 0.96 OPRM1 (0.48) OPRM1OPRL1DRD3SLC6A4OPRD1
Ethylene SCHEMBL11092451 0.94 OPRM1 (0.46) OPRM1OPRL1DRD3SLC6A4OPRD1
SCHEMBL11094528 0.92 OPRM1 (0.42) OPRM1OPRL1DRD3SLC6A4OPRD1
Ethylene SCHEMBL11092467 0.90 OPRM1 (0.40) OPRM1OPRL1DRD3SLC6A4OPRD1
SCHEMBL11096384 0.90 DRD3 (0.42) OPRM1OPRL1DRD3SLC6A4OPRD1
SCHEMBL11557913 0.87 OPRM1 (0.43) OPRM1DRD3SLC6A4OPRD1
SCHEMBL11096800 0.87 OPRM1 (0.46) OPRM1OPRL1DRD3SLC6A4OPRD1
SCHEMBL11098411 0.86 OPRM1 (0.42) OPRM1OPRL1DRD3SLC6A4OPRD1
Ethylene SCHEMBL11099465 0.85 OPRM1 (0.42) OPRM1DRD3SLC6A4OPRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US claimed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed