SCHEMBL14558293

SCHEMBL14558293

N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
DPP4 P27487 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL14558294 0.86 DPP4 (0.51) KDM4ELMNAHPGDKMT2APOLB
SCHEMBL8295004 0.83 KDM4E (0.50) KDM4ELMNAHPGDKMT2ANPC1
SCHEMBL2237253 0.82 KDM4E (0.59) KDM4ELMNAHPGDKMT2ANPC1
SCHEMBL2237243 0.82 KDM4E (0.59) KDM4ELMNAHPGDKMT2ANPC1
SCHEMBL5708852 0.80 DPP4 (0.54) DPP7DPP4DPP8DPP9
SCHEMBL14558290 0.77 DPP4 (0.57) DPP7DPP4DPP8DPP9
SCHEMBL30880806 0.77 KDM4E (0.52) KDM4ELMNAHPGDKMT2ANPC1
SCHEMBL26922222 0.76 DRD2 (0.61) KDM4EKMT2ANPC1ALOX15RAB9A
SCHEMBL30880800 0.76 KDM4E (0.51) KDM4ELMNAHPGDKMT2ANPC1
Trifluoroacetic Acid SCHEMBL6821632 0.75 DPP4 (0.55) DPP7DPP4DPP8DPP9

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