SCHEMBL11111422

SCHEMBL11111422

NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DPP4 P27487 5/20 0.39
FAP Q12884 4/20 0.39
PREP P48147 3/20 0.39
F2 P00734 10/20 0.38
PRSS1 P07477 5/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL11113477 0.86 DPP4 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1046072 0.83 DPP4 (0.46) DPP4FAPPREPF2PRSS1
SCHEMBL1046070 0.83 DPP4 (0.46) DPP4FAPPREPF2PRSS1
SCHEMBL4330609 0.81 FAP (0.41) DPP4FAPPREPF2PRSS1
SCHEMBL4327210 0.81 FAP (0.41) DPP4FAPPREPF2PRSS1
SCHEMBL11112657 0.80 DPP4 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11515849 0.80 F2 (0.40) DPP4FAPPREPF2NPSR1
SCHEMBL11515844 0.80 F2 (0.40) DPP4FAPPREPF2NPSR1
SCHEMBL464681 0.80 PREP (0.55) DPP4FAPPREPF2PRSS1
SCHEMBL11111706 0.79 SMN1; SMN2 (0.57) NPSR1

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-0115473-A2 Substituted pyrrolidinone derivatives and process for their preparation CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed