SCHEMBL4376173

SCHEMBL4376173

O=C(O)N1CCC(COc2cnc(-c3ccc(C(=O)N4CCC(O)C4)cc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.48
GABRA5 P31644 3/20 0.47
HDAC4 P56524 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HRH3 Q9Y5N1 2/20 0.39
VNN1 O95497 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ACHE P22303 2/20 0.38
CHEK2 O96017 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4388608 0.95 ATR (0.42) ATRGABRA5HDAC4GPR119HRH3
SCHEMBL13690457 0.87 GPR119 (0.56) ATRGABRA5GPR119ALOX5APFEN1
SCHEMBL15539579 0.86 HDAC4 (0.43) ATRGABRA5HDAC4GPR119HRH3
SCHEMBL18849047 0.86 HDAC4 (0.43) ATRGABRA5HDAC4GPR119HRH3
SCHEMBL15539576 0.86 HDAC4 (0.43) ATRGABRA5HDAC4GPR119HRH3
SCHEMBL4056867 0.85 ALOX5AP (0.42) ATRGABRA5GPR119ALOX5APFEN1
SCHEMBL4059326 0.85 PARP15 (0.45) ATRGPR119ACHECHEK2
SCHEMBL4461701 0.83 HDAC4 (0.44) ATRGABRA5HDAC4HRH3VNN1
SCHEMBL4373471 0.82 ATR (0.50) ATRGABRA5HDAC4VNN1ALOX5AP
SCHEMBL13690462 0.82 GPR119 (0.57) GPR119ALOX5APFEN1CHEK2

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