SCHEMBL5740673

SCHEMBL5740673

Cc1ccc(-c2c(NC(=O)N3CCC(c4ccccc4)CC3)c(C)nc(CC(C)C)c2C(OC(N)=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.40
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LIPE Q05469 1/20 0.37
DPP9 Q86TI2 3/20 0.37
DPP8 Q6V1X1 3/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
Hydrochloric Acid SCHEMBL5446161 0.82 DPP4 (0.54) DPP4DPP9DPP8
SCHEMBL5462671 0.80 DPP4 (0.43) DPP4NPC1TP53TSHRRAB9A
SCHEMBL5740676 0.80 DPP4 (0.41) DPP4NPC1TP53TSHRRAB9A
Hydrochloric Acid SCHEMBL27644405 0.76 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5741196 0.75 DPP4 (0.46) DPP4DPP9DPP8
SCHEMBL27664912 0.75 DPP4 (0.40) DPP4LIPEDPP9
SCHEMBL27664909 0.75 DPP4 (0.40) DPP4KDM4EALDH1A1MAPTHPGD
SCHEMBL5740124 0.71 DPP4 (0.44) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5447993 0.69 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL5739246 0.68 DPP4 (0.41) DPP4DPP9DPP8

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
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed