SCHEMBL18800970

SCHEMBL18800970

CN1CNC(=O)C12CCCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
HSD17B10 Q99714 1/20 0.35
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL16883674 0.83 HSD17B10 (0.51) OPRM1OPRL1CDK8CDK19HSD17B10
SCHEMBL13563372 0.83 CDK8 (0.40) SLC6A9OPRM1OPRL1CDK8CDK19
SCHEMBL14367298 0.80 CDK8 (0.41) SLC6A9OPRM1OPRL1CDK8CDK19
SCHEMBL4838402 0.78 HSD17B10 (0.35) CDK8CDK19HSD17B10
SCHEMBL12918587 0.78 HSD17B10 (0.35) CDK8CDK19HSD17B10
SCHEMBL24740359 0.78 GRIN1 (0.38) SLC6A9OPRM1OPRL1HSD17B10
SCHEMBL13541903 0.77 OPRM1 (0.45) OPRM1OPRL1CDK8CDK19OPRD1
SCHEMBL16750986 0.75 GRIN1 (0.36) SLC6A9OPRM1OPRL1HSD17B10
SCHEMBL16751010 0.75 GRIN1 (0.38) SLC6A9OPRM1OPRL1HSD17B10
SCHEMBL12028851 0.72 SLC6A9 (0.34) SLC6A9OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2732818-B1 A BIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR ANTAGONIST TO TREAT GLOMERULOSCLEROSIS LIGAND PHARM INC (US) 2017-05-03 EP disclosed