SCHEMBL9523741

SCHEMBL9523741

CCCC(c1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.55
OPRD1 P41143 7/20 0.55
OPRK1 P41145 7/20 0.55
OPRL1 P41146 7/20 0.55
DRD2 P14416 2/20 0.54
CCR5 P51681 1/20 0.49
SLC18A3 Q16572 2/20 0.48
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PRCP P42785 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL9523607 0.91 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7402938 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL9521516 0.88 SLC18A3 (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL10598753 0.80 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1KCNH2
SCHEMBL7405479 0.79 OPRK1 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL113896 0.79 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNH2
SCHEMBL10601133 0.79 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNH2
SCHEMBL7500754 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CARM1
SCHEMBL21000265 0.78 DRD2 (0.53) OPRM1DRD2CCR5SLC18A3DRD1
SCHEMBL12513620 0.78 MC4R (0.65) OPRM1OPRD1OPRK1OPRL1DRD1

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