SCHEMBL17207012

SCHEMBL17207012

COC(=O)N(CN)CC#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
ELANE P08246 1/20 0.38
ZDHHC20 Q5W0Z9 3/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP1A2 P05177 1/20 0.33
MCL1 Q07820 1/20 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
SCHEMBL7522251 0.78 DPP4 (0.40) DPP4ELANEZDHHC20ZDHHC2CYP1A2
SCHEMBL7522465 0.76 DPP4 (0.53) DPP4ELANEZDHHC20ZDHHC2CYP1A2
SCHEMBL7521208 0.76 ZDHHC20 (0.51) DPP4ELANEZDHHC20ZDHHC2CYP1A2
SCHEMBL7525018 0.74 CYP1A2 (0.41) DPP4ELANEZDHHC20ZDHHC2CYP1A2
SCHEMBL17611943 0.74
SCHEMBL5468884 0.72
SCHEMBL7517117 0.71 CTSS (0.51) CYP1A2
SCHEMBL3928512 0.67 DPP4 (0.41) DPP4ELANEZDHHC20ZDHHC2CYP1A2
SCHEMBL19883438 0.64
SCHEMBL21680807 0.64 DPP4 (0.46) DPP4ELANEMCL1

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed