SCHEMBL9523607

SCHEMBL9523607

CCCCC(c1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.56
OPRD1 P41143 9/20 0.56
OPRK1 P41145 9/20 0.56
OPRL1 P41146 9/20 0.56
DRD2 P14416 2/20 0.51
CCR5 P51681 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
DPP4 P27487 1/20 0.46
SLC18A3 Q16572 1/20 0.46
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL9523741 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL9521516 0.85 SLC18A3 (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7402938 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL21000265 0.81 DRD2 (0.53) OPRM1DRD2CCR5HRH3SLC18A3
SCHEMBL19564583 0.78 DRD2 (0.53) OPRM1DRD2CCR5SLC18A3DRD1
SCHEMBL3811836 0.78 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL4794881 0.76 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL13132261 0.76 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL8734717 0.76 DRD2 (0.41) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL24511207 0.75 DRD2 (0.49) OPRM1DRD2DPP4SLC18A3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed