SCHEMBL5576449

SCHEMBL5576449

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
DPP7 Q9UHL4 3/20 0.48
DPP4 P27487 5/20 0.46
DPP8 Q6V1X1 3/20 0.46
FAP Q12884 2/20 0.46
DPP9 Q86TI2 2/20 0.46
NAMPT P43490 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
PABPC1 P11940 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1257864 0.88 LMNA (0.53) LMNADPP7DPP4DPP8DPP9
SCHEMBL30608510 0.84 DPP4 (0.50) LMNADPP7DPP4DPP8DPP9
SCHEMBL1296384 0.83 LMNA (0.48) LMNADPP7DPP4DPP8DPP9
SCHEMBL27824844 0.83 LMNA (0.48) LMNADPP7DPP4DPP8DPP9
SCHEMBL31256537 0.83 GRB2 (0.49)
SCHEMBL11435718 0.82 NAMPT (0.48) LMNANAMPTTRPV1PABPC1MEN1
SCHEMBL219560 0.82 FKBP4 (0.41) KMT2A
SCHEMBL5835132 0.82 FKBP4 (0.41) KMT2A
Hydrochloric Acid SCHEMBL6673589 0.81 FKBP4 (0.41) KMT2A
Hydrochloric Acid SCHEMBL10448676 0.81 FKBP4 (0.41) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070100561-A1 Crystals of DPP-IV HENNIG MICHAEL 2007-05-03 US disclosed
US-20070015269-A1 Crystals of DPP-IV HOFFMANN-LA ROCHE INC. 2007-01-18 US disclosed
EP-1422293-A1 Crystal structure of dipeptidyl peptidase IV F. HOFFMANN-LA ROCHE AG (CH) 2004-05-26 EP disclosed