SCHEMBL13997181

SCHEMBL13997181

C[C@@H]1CCCN1C(=O)CNC1CCC(NC(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
PREP P48147 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
FAP Q12884 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP7 Q9UHL4 2/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL8286764 0.85 FAP (0.71) DPP4PREPFAPDPP7
SCHEMBL3808079 0.84 PREP (0.72) DPP4PREPDPP7
SCHEMBL3808076 0.84 PREP (0.72) DPP4PREPDPP7
SCHEMBL30182960 0.75 NPC1 (0.61) DPP4PREPFAPMEN1KMT2A
SCHEMBL2230140 0.74 NPC1 (0.79) CARM1PRMT6NPSR1MEN1KMT2A
SCHEMBL124395 0.74 NPC1 (0.79) CARM1PRMT6NPSR1MEN1KMT2A
SCHEMBL16104917 0.74 DPP4 (0.69) DPP4NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3808184 0.73 DPP4 (0.67) DPP4PREPDPP7
SCHEMBL3808180 0.73 DPP4 (0.67) DPP4PREPDPP7
SCHEMBL12425958 0.73 NPC1 (0.67) CARM1PRMT6NPSR1MEN1KMT2A

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-1997533-A1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2008-12-03 EP disclosed