SCHEMBL5750264

SCHEMBL5750264

Cc1ccc(-c2c(CSc3ncc[nH]3)c(C)nc(CC(C)(C)C)c2CC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.45
DPP9 Q86TI2 8/20 0.41
DPP8 Q6V1X1 6/20 0.41
NISCH Q9Y2I1 1/20 0.35
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL5457141 0.92 DPP4 (0.57) DPP4DPP9DPP8
SCHEMBL5443496 0.89 DPP4 (0.48) DPP4DPP9DPP8SMN1; SMN2
SCHEMBL5750259 0.87 DPP4 (0.38) DPP4DPP9DPP8NISCH
SCHEMBL5806839 0.85 DPP4 (0.46) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5442737 0.74 DPP4 (0.61) DPP4DPP9DPP8
SCHEMBL5753502 0.74 CYP2E1 (0.48) DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL5739328 0.74 DPP4 (0.59) DPP4DPP9DPP8
SCHEMBL5445193 0.73 DPP4 (0.48) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5450843 0.72 DPP4 (0.58) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5452759 0.72 DPP4 (0.58) 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