SCHEMBL11076285

SCHEMBL11076285

CCCN(C)C1(c2cccc(O)c2)CCC(N(C)CC)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 5/20 0.41
MEN1 O00255 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
OPRL1 P41146 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL11074293 0.93 OPRM1 (0.49) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11081455 0.92 OPRM1 (0.45) OPRM1SLC6A4SLC6A2DRD2DRD4
SCHEMBL11075993 0.91 OPRM1 (0.43) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11070074 0.89 OPRM1 (0.45) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11069937 0.87 OPRM1 (0.43) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11078096 0.87 OPRM1 (0.42) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11073734 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1DRD2DRD4
SCHEMBL11070091 0.85 OPRM1 (0.50) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11073770 0.82 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11066081 0.82 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1

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