SCHEMBL4057993

SCHEMBL4057993

CC(C)OC(=O)N1CCC(N(C)Cc2cnc(-c3ccc(S(C)(=O)=O)cc3F)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.60
CYP2C9 P11712 3/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4048482 0.87 GPR119 (0.56) GPR119
SCHEMBL13690362 0.82 GPR119 (0.41) GPR119CYP2C9
SCHEMBL4561845 0.82 GPR119 (0.50) GPR119
SCHEMBL389322 0.81 GPR119 (0.62) GPR119CYP2C9KCNH2
SCHEMBL4057702 0.81 GPR119 (0.48) GPR119KCNH2
SCHEMBL386557 0.81 GPR119 (0.64) GPR119CYP2C9KCNH2
SCHEMBL3980850 0.80 GPR119 (0.53) GPR119
SCHEMBL4057221 0.78 GPR119 (0.53) GPR119
SCHEMBL4048254 0.78 GPR119 (0.46) GPR119
SCHEMBL387662 0.78 GPR119 (0.62) GPR119CYP2C9

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed