SCHEMBL27634833

SCHEMBL27634833

CC(CO)NC(=O)c1nc(-c2ccc(Cl)cc2)cnc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
GABRA5 P31644 4/20 0.42
AHR P35869 3/20 0.42
ACVR1 Q04771 1/20 0.41
SYK P43405 2/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL27655845 0.88 HTT (0.44) ATRACVR1CNR2CNR1TRPA1
SCHEMBL4678614 0.85 CNR1 (0.44) GABRA5AHRCNR2CNR1MAPT
SCHEMBL27635023 0.85 ATR (0.49) ATRGABRA5AHRACVR1SYK
SCHEMBL28759848 0.77 CNR1 (0.53) ATRACVR1CNR2CNR1
SCHEMBL27634894 0.77 CNR2 (0.41) ATRACVR1CNR2CNR1MAPT
SCHEMBL27634832 0.75 ACVR1 (0.50) ACVR1CNR2CNR1
SCHEMBL5463864 0.72 PHGDH (0.45) MAPK1
SCHEMBL4680498 0.72 HTT (0.48) CNR2CNR1
SCHEMBL5463818 0.70 CNR1 (0.42) CNR2CNR1
SCHEMBL5754645 0.69 GABRA5 (0.43) GABRA5ACVR1CNR2CNR1MAPT

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
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 CN claimed
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 CN disclosed