SCHEMBL6689374

SCHEMBL6689374

CCN(NC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccnc(SC)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.42
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK1 P23458 1/20 0.39

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
SCHEMBL6636072 0.88 USP30 (0.44) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL4914329 0.74 ALDH1A1 (0.43) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL23929008 0.74 GPR119 (0.48) GPR119MAPTHTTJAK1
SCHEMBL6633803 0.72 MEN1 (0.43) GPR119
SCHEMBL6620240 0.72 MEN1 (0.43) GPR119
SCHEMBL31627464 0.72 GPR119 (0.52) GPR119
SCHEMBL14521993 0.72 GPR119 (0.47) GPR119USP30
SCHEMBL30443695 0.72 GPR119 (0.50) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL3486530 0.72 GPR119 (0.69) GPR119ALDH1A1MAPT
SCHEMBL22730356 0.69 GPR119 (0.43) GPR119

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-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO disclosed