SCHEMBL8833145

SCHEMBL8833145

CCCCCC(=O)[N]c1ncc(CCC)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK5 Q00535 1/20 0.38
FDPS P14324 2/20 0.38
HRH2 P25021 4/20 0.34
DRD2 P14416 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DEGS1 O15121 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL8832893 0.96 FDPS (0.39) CDK2CCNE1CDK5FDPSHRH2
SCHEMBL8833774 0.90 FDPS (0.35) CDK2CCNE1CDK5FDPSMAPK10
SCHEMBL8833591 0.85 SMN1; SMN2 (0.38) CDK2CCNE1CDK5FDPSMAPK10
SCHEMBL8833783 0.85 FDPS (0.41) CDK2CCNE1CDK5FDPSSMN1; SMN2
SCHEMBL8834125 0.79 FDPS (0.37) CDK2CCNE1CDK5FDPSMAPK10
SCHEMBL8833522 0.78 NAAA (0.33) CDK2CCNE1CDK5MAPK10SMN1; SMN2
SCHEMBL8833608 0.74 FDPS (0.38) CDK2CCNE1CDK5FDPSSMN1; SMN2
SCHEMBL8833251 0.73 SMN1; SMN2 (0.35) CDK2CCNE1CDK5MAPK10SMN1; SMN2
SCHEMBL8833256 0.72 FDPS (0.36) CDK2FDPSSMN1; SMN2NPC1RAB9A
SCHEMBL8833079 0.67 FDPS (0.40) CDK2CCNE1CDK5FDPSSMN1; SMN2

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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed