SCHEMBL24711528

SCHEMBL24711528

CCCN1CCN2C(=O)CCCC2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL21739497 0.87 TDP1 (0.38) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22052769 0.87 TDP1 (0.38) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21739329 0.87 TDP1 (0.38) DRD2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21739494 0.78 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12267931 0.78 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21739324 0.78 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12943133 0.78 DRD2 (0.43) DRD2DRD3
SCHEMBL17722618 0.77 PDCD1LG2 (0.41) DRD2DRD3
SCHEMBL24711532 0.77 PDCD1LG2 (0.41) DRD2DRD3
SCHEMBL21739463 0.77 PDCD1LG2 (0.41) DRD2DRD3

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
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed