SCHEMBL7346164

SCHEMBL7346164

CC(C)(C)OC(=O)CN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.44
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
WNT3A P56704 1/20 0.38
PGK1 P00558 1/20 0.38
RET P07949 6/20 0.38
CRBN Q96SW2 1/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ADK P55263 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
SCHEMBL7353169 0.85 ITGB3 (0.53) ITGB3ITGA2BGPR119
SCHEMBL7346169 0.84 UBE2T (0.43) UBE2TOPRM1OPRK1ITGB3ITGA2B
SCHEMBL7381654 0.84 UBE2T (0.51) UBE2TOPRM1OPRK1ITGB3ITGA2B
SCHEMBL7346577 0.82 ITGB3 (0.52) UBE2TITGB3ITGA2BCRBNWNT1
SCHEMBL25268453 0.79 PGK1 (0.42) PPARGPPARAWNT3APGK1RET
SCHEMBL30429285 0.79 PGK1 (0.42) PPARGPPARAWNT3APGK1RET
Trifluoroacetic Acid SCHEMBL7344932 0.78 ITGB3 (0.49) UBE2TPPARGPPARAITGB3ITGA2B
SCHEMBL24880642 0.78 PPARG (0.53) PPARGPPARARETGPR119
SCHEMBL31140048 0.78 PPARG (0.53) PPARGPPARARETGPR119
SCHEMBL30520181 0.77 RET (0.42) PPARGPPARAPGK1RETWNT1

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-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP disclosed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO disclosed