SCHEMBL14558294

SCHEMBL14558294

N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCSC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
DPP7 Q9UHL4 5/20 0.51
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL14558293 0.86 KDM4E (0.51) DPP4DPP7DPP8DPP9KDM4E
SCHEMBL8295004 0.78 KDM4E (0.50) KDM4ELMNAHPGDKMT2APOLB
SCHEMBL5355999 0.78 DPP4 (0.58) DPP4DPP7DPP8DPP9DRD2
SCHEMBL2237243 0.78 KDM4E (0.59) KDM4ELMNAHPGDKMT2APOLB
SCHEMBL2237253 0.78 KDM4E (0.59) KDM4ELMNAHPGDKMT2APOLB
SCHEMBL14558297 0.77 DPP4 (0.52) DPP4DPP7DPP8DPP9LMNA
Hydrochloric Acid SCHEMBL5346118 0.77 DPP4 (0.57) DPP4DPP7DPP8DPP9DRD2
SCHEMBL14558299 0.77 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL2367694 0.76 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL26921805 0.74 DRD2 (0.59) KDM4EKMT2APOLBMEN1DRD2

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-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed