SCHEMBL13614167

SCHEMBL13614167

CCN(C)C(=O)C1CCCN(C)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.63
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ F2R P25116 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DGAT2 Q96PD7 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
SCHEMBL18959507 0.90 BCHE (0.55) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL27324185 0.90 BCHE (0.55) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL1375400 0.85 BCHE (0.62) BCHEHTTHPGDKDM4EALDH1A1
SCHEMBL12225623 0.82 BCHE (0.56) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL10202194 0.82 BCHE (0.56) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL12225627 0.82 BCHE (0.56) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL10735407 0.82 BCHE (0.62) BCHEITGB3ITGA2BF2RPARP1
SCHEMBL15322067 0.81 BCHE (0.57) BCHEITGB3ITGA2BF2RDPP4
SCHEMBL15342480 0.80 BCHE (0.44) BCHEHTTHPGDKDM4ESMN1; SMN2
SCHEMBL12424455 0.78 BCHE (0.51) BCHEDPP4KDM4ESMN1; 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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 — — EP disclosed
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