SCHEMBL5738844

SCHEMBL5738844

Cc1ccc(-c2c(CC(=O)NCc3cccs3)c(C)nc(CC(C)C)c2C(OC(N)=O)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
HPGD P15428 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5739123 0.84 DPP4 (0.49) DPP4NPC1RAB9APOLBALDH1A1
Hydrochloric Acid SCHEMBL5448900 0.81 DPP4 (0.70) DPP4
SCHEMBL5454134 0.81 DPP4 (0.59) DPP4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5738848 0.81 DPP4 (0.54) DPP4HPGDTRPM8NPC1RAB9A
SCHEMBL5740124 0.79 DPP4 (0.44) DPP4
SCHEMBL27665023 0.77 DPP4 (0.60) DPP4
SCHEMBL5741196 0.76 DPP4 (0.46) DPP4
Hydrochloric Acid SCHEMBL27643657 0.76 DPP4 (0.61) DPP4
SCHEMBL27664835 0.76 DPP4 (0.51) DPP4SMN1; SMN2
SCHEMBL27664836 0.74 DPP4 (0.49) DPP4SMN1; SMN2

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