Sugi Predict

Sugi Predict / Compounds / SCHEMBL5738848

SCHEMBL5738848

SCHEMBL5738848

Cc1ccc(-c2c(CC(=O)NCc3cccs3)c(C)nc(CC(C)C)c2CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.54
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 3/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL27664835 0.92 DPP4 (0.51) DPP4SMN1; SMN2
SCHEMBL5454134 0.89 DPP4 (0.59) DPP4NPC1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5448900 0.86 DPP4 (0.70) DPP4
SCHEMBL4111959 0.84 DPP4 (0.64) DPP4
SCHEMBL5443049 0.84 DPP4 (0.56) DPP4
SCHEMBL5739126 0.83 DPP4 (0.53) DPP4NPC1RAB9APOLB
SCHEMBL5453667 0.83 DPP4 (0.56) DPP4
SCHEMBL5740696 0.83 DPP4 (0.52) DPP4
SCHEMBL5452544 0.82 DPP4 (0.56) DPP4
SCHEMBL5451550 0.82 DPP4 (0.51) DPP4

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