SCHEMBL24944121

SCHEMBL24944121

O=C(CCCCCCCCC(=O)OC1(c2ccc(-c3ccc(C4(OC(=O)CCCCCCCCC(=O)OC5(c6ccccc6)CCNCC5)CCNCC4)cc3)cc2)CCNCC1)OC1(c2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
DRD3 P35462 12/20 0.41
AKT2 P31751 1/20 0.41
DRD2 P14416 11/20 0.40
DRD4 P21917 11/20 0.40
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38

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
SCHEMBL26426981 1.00 OPRM1 (0.42) OPRM1DRD3AKT2DRD2DRD4
SCHEMBL26413968 0.95 OPRM1 (0.46) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26413963 0.95 OPRM1 (0.46) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26413892 0.90 OPRM1 (0.42) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26478723 0.90 DRD3 (0.44) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26478587 0.90 DRD3 (0.44) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26413891 0.90 OPRM1 (0.42) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL24943985 0.90 DRD3 (0.44) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL24943666 0.90 DRD3 (0.44) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL26479069 0.90 DRD3 (0.44) OPRM1DRD3DRD2DRD4OPRD1

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
US-20230021453-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-26 US disclosed