SCHEMBL4370580

SCHEMBL4370580

CN(Cc1cnc(-c2ccc([S+](C)[O-])cc2)cn1)C1CCN(C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.34
GPR119 Q8TDV5 4/20 0.34
MCHR1 Q99705 1/20 0.34
OPRM1 P35372 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
LTA4H P09960 3/20 0.32
RORC P51449 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL13690774 0.88 GPR119 (0.47) GPR119
SCHEMBL4060086 0.86 RORC (0.46) ATRGPR119MCHR1GSK3BRORC
SCHEMBL4374631 0.85 ITGB3 (0.40) ATRGPR119MCHR1OPRM1GSK3B
SCHEMBL4050800 0.85 ALDH1A1 (0.41) ATRGPR119MCHR1
SCHEMBL4056589 0.85 ATR (0.40) ATRGPR119MCHR1MKNK1MKNK2
SCHEMBL4050702 0.83 GPR119 (0.46) ATRGPR119MCHR1MKNK1MKNK2
SCHEMBL4376368 0.82 MKNK1 (0.46) ATRMKNK1MKNK2
SCHEMBL4059822 0.82 MCHR1 (0.41) ATRMCHR1LTA4H
SCHEMBL3984237 0.78 GPR119 (0.39) GPR119MCHR1
SCHEMBL4053316 0.77 ATR (0.41) ATRMKNK1MKNK2

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