SCHEMBL4388608

SCHEMBL4388608

O=C(O)N1CCC(COc2cnc(-c3ccc(C(=O)N4CC(O)C4)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.42
GABRA5 P31644 3/20 0.41
GPR119 Q8TDV5 3/20 0.41
CHEK2 O96017 1/20 0.39
HTR2B P41595 2/20 0.38
ACHE P22303 2/20 0.37
ATXN2 Q99700 2/20 0.37
HDAC4 P56524 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4376173 0.95 ATR (0.48) ATRGABRA5GPR119CHEK2HTR2B
SCHEMBL13690462 0.87 GPR119 (0.57) GPR119CHEK2
SCHEMBL4059326 0.85 PARP15 (0.45) ATRGPR119CHEK2ACHE
SCHEMBL4056867 0.84 ALOX5AP (0.42) ATRGABRA5GPR119CHEK2HTR2B
SCHEMBL4056447 0.83 GPR119 (0.43) ATRGPR119ACHE
SCHEMBL13690457 0.82 GPR119 (0.56) ATRGABRA5GPR119CHEK2
SCHEMBL4048867 0.82 SPHK2 (0.44) ATRGABRA5GPR119HRH3
SCHEMBL4049899 0.82 SPHK2 (0.44) ATRGABRA5GPR119HRH3
SCHEMBL4368582 0.81 ATR (0.39) ATRGABRA5GPR119CHEK2HTR2B
SCHEMBL4371541 0.81 TPH1 (0.48) ATRHTR2BHDAC4KCNH2

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