SCHEMBL16728872

SCHEMBL16728872

CC(C)(C)OC(=O)N1Cc2cc(-c3cccc(F)c3)nn2C(CO)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
GRM1 Q13255 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TP53 P04637 2/20 0.37
HPGDS O60760 2/20 0.37
USP30 Q70CQ3 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KAT7 O95251 1/20 0.36
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
LMNA P02545 1/20 0.35
CCNT1 O60563 1/20 0.35

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
SCHEMBL16709068 0.88 GRM5 (0.37) GRM5GRM1GPR119TP53HPGDS
SCHEMBL16730941 0.85 MAPT (0.38) USP30KAT7KAT6AKAT5
SCHEMBL16709070 0.79 CSNK1E (0.54)
SCHEMBL16711195 0.78 GRM5 (0.50) GRM5GRM1
SCHEMBL16700187 0.77 GRM5 (0.38) GRM5TP53
SCHEMBL16709011 0.77 SMN1; SMN2 (0.39) TP53USP30
SCHEMBL30622958 0.77 ABHD6 (0.43) GRM5GPR119TP53BACE1BACE2
SCHEMBL30623015 0.76 ABHD6 (0.41) GRM5GPR119TP53BACE1BACE2
SCHEMBL16709098 0.75 SCD5 (0.39) GRM5GRM1GPR119HPGDSUSP30
SCHEMBL30623033 0.74 GRM5 (0.45) GRM5GRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed