SCHEMBL3360434

SCHEMBL3360434

CCN(Cc1ccccc1)C(=O)Cc1cnc(CNC(=O)OC(C)(C)C)c2cc(OC)c(OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
AKT1 P31749 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PDE10A Q9Y233 4/20 0.37
ALDH1A1 P00352 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL3361800 0.90 CTSL (0.43) DPP4MEN1KMT2ARXFP1CTSL
SCHEMBL3362196 0.83 DPP4 (0.46) DPP4PDE10A
SCHEMBL3361000 0.83 DPP4 (0.61) DPP4MEN1KMT2ATRPM8ALDH1A1
SCHEMBL3362959 0.82 DPP4 (0.40) DPP4CTSSPDE10A
Hydrochloric Acid SCHEMBL3362995 0.82 DPP4 (0.61) DPP4MEN1KMT2ATRPM8ALDH1A1
SCHEMBL3363192 0.82 CYP3A4 (0.41) DPP4MEN1KMT2APDE10AALDH1A1
SCHEMBL3361880 0.81 DPP4 (0.47) DPP4PDE10A
SCHEMBL3361175 0.79 HPGD (0.44) DPP4MEN1KMT2ARXFP1CTSL
SCHEMBL3365064 0.78 KDM4E (0.43) DPP4MEN1KMT2APDE10AALDH1A1
SCHEMBL3361886 0.78 DPP4 (0.41) DPP4MEN1KMT2ARXFP1CTSL

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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed