SCHEMBL30439280

SCHEMBL30439280

CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.56
FAP Q12884 6/20 0.56
DPP4 P27487 4/20 0.56
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACE P12821 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL28578875 0.88 PREP (0.46) PREPFAPDPP4CYP3A4CYP2C9
SCHEMBL464681 0.87 PREP (0.55) PREPFAPDPP4NPSR1F2
SCHEMBL29985759 0.86 PREP (0.44) PREPFAPDPP4CYP3A4CYP2C9
SCHEMBL28913603 0.85 FAP (0.61) PREPFAPDPP4CYP2C19ACE
SCHEMBL30439075 0.85 P2RX7 (0.49) CYP3A4CYP2C9PKMCYP2C19ACE
SCHEMBL26391683 0.85 PREP (0.59) PREPFAPDPP4CYP3A4CYP2C9
SCHEMBL1509677 0.83 DPP4 (0.54) PREPFAPDPP4CYP2C19SMN1; SMN2
SCHEMBL17202450 0.83 ACE (0.49) PREPFAPDPP4CYP2C19ACE
SCHEMBL13012657 0.83 FAP (0.56) PREPFAPDPP4ACEF2
SCHEMBL8564779 0.82 DPP4 (0.46) PREPFAPDPP4CYP3A4CYP2C9

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-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed