SCHEMBL11077463

SCHEMBL11077463

C=CCN(CCC)C1CCC(c2ccc(OC)cc2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRL1 P41146 5/20 0.46
HTR1A P08908 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 2/20 0.39
HTR1D P28221 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL11075002 0.90 HTR1D (0.36) OPRM1OPRL1HTR1AHTR1D
SCHEMBL11076134 0.86 HTR1D (0.38) OPRM1OPRL1HTR1AHTR1D
SCHEMBL11076865 0.79 HTR1D (0.36) HTR1ADRD2DRD3HTR1D
SCHEMBL11075507 0.78 HTR1D (0.39) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL11067219 0.78 HTR1D (0.38) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL11070194 0.77 HTR1D (0.37) HTR1ADRD2DRD3HTR1DSLC6A4
SCHEMBL11076941 0.76 HTR1D (0.40) OPRM1HTR1ADRD2DRD3DRD4
SCHEMBL11076146 0.76 HTR1D (0.36) OPRM1OPRL1HTR1ADRD2DRD3
SCHEMBL11070143 0.76 OPRL1 (0.56) OPRM1OPRL1SLC6A4SLC6A3
SCHEMBL11076041 0.75 BCHE (0.44) OPRM1OPRL1

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