SCHEMBL9469142

SCHEMBL9469142

CC(=O)N(C)[C@H]([C]=O)CC#N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.31
CHRM2 P08172 3/20 0.30
CHRM4 P08173 3/20 0.30
CHRM5 P08912 3/20 0.30
CHRM1 P11229 3/20 0.30
CHRM3 P20309 3/20 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
SCHEMBL9469233 1.00 DPP4 (0.31) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL9470267 0.73 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3061108 0.73 SLC22A6 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9469816 0.73 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9469814 0.73 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9469236 0.71 DPP4 (0.30) DPP4
SCHEMBL15223872 0.69 CHRM1 (0.33) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL9469716 0.69 MGAM (0.35)
SCHEMBL9469916 0.69 PDF (0.30)
SCHEMBL9470104 0.69 RNPEP (0.37)

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
US-5244893-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed