SCHEMBL8833766

SCHEMBL8833766

CC(=O)[N]c1ncc(C2CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL8833649 0.79 CCNE1 (0.38) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL8833522 0.76 NAAA (0.33) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL16266936 0.74 ALDH1A1 (0.39) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL8833079 0.70 FDPS (0.40) CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL28112274 0.67 CCNE1 (0.37) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL17484176 0.66 CCR2 (0.34) CCNE1CDK2CDK5CDK5R1
SCHEMBL20883053 0.62 CCNE1 (0.60) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL21092429 0.61
SCHEMBL27259607 0.61 ALDH1A1 (0.41) CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL24572410 0.61 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1SMN1; 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