SCHEMBL8833774

SCHEMBL8833774

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
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
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.33
FFAR1 O14842 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL8833591 0.95 SMN1; SMN2 (0.38) FDPSCCNE1CDK2CDK5MAPK10
SCHEMBL8833145 0.90 CDK2 (0.38) FDPSCCNE1CDK2CDK5MAPK10
SCHEMBL8834125 0.89 FDPS (0.37) FDPSCCNE1CDK2CDK5MAPK10
SCHEMBL8832893 0.85 FDPS (0.39) FDPSCCNE1CDK2CDK5MAPK10
SCHEMBL8833522 0.79 NAAA (0.33) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL8833079 0.78 FDPS (0.40) FDPSCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL8833251 0.74 SMN1; SMN2 (0.35) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL8833783 0.74 FDPS (0.41) FDPSCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL8833680 0.73 SMN1; SMN2 (0.43) FDPSCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL8833561 0.72 SMYD3 (0.40) FDPSCCNE1CDK2CDK5SMN1; 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 2 patents. 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
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed