SCHEMBL8833561

SCHEMBL8833561

CCc1cnc([N]C(=O)C2CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.40
FDPS P14324 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.32
CHRNA7 P36544 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL8833619 0.94 SMYD3 (0.38) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833608 0.88 FDPS (0.38) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833256 0.83 FDPS (0.36) SMYD3FDPSCDK2SMN1; SMN2HPGD
SCHEMBL8833431 0.81 CCNE1 (0.41) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833079 0.79 FDPS (0.40) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833849 0.76 CCNE1 (0.34) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL8834125 0.75 FDPS (0.37) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833680 0.74 SMN1; SMN2 (0.43) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833591 0.73 SMN1; SMN2 (0.38) SMYD3FDPSCCNE1CDK2CDK5
SCHEMBL8833774 0.72 FDPS (0.35) SMYD3FDPSCCNE1CDK2CDK5

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