SCHEMBL27634832

SCHEMBL27634832

CC(C)(C)OC(=O)c1ncc(-c2ccc(Cl)cc2)nc1C(=O)NC1CCCCC1O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.50
CNR1 P21554 18/20 0.48
CNR2 P34972 4/20 0.48
TACR2 P21452 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
SCHEMBL4677625 0.86 CNR1 (0.52) CNR1CNR2TACR2
SCHEMBL4677619 0.86 CNR1 (0.52) CNR1CNR2TACR2
SCHEMBL4677622 0.86 CNR1 (0.52) CNR1CNR2TACR2
SCHEMBL4677901 0.86 CNR1 (0.52) CNR1CNR2TACR2
SCHEMBL4677897 0.86 CNR1 (0.52) CNR1CNR2TACR2
SCHEMBL27656035 0.85 ACVR1 (0.53) ACVR1CNR1CNR2TACR2
SCHEMBL28759848 0.80 CNR1 (0.53) ACVR1CNR1CNR2
SCHEMBL4680943 0.76 CNR1 (0.50) CNR1CNR2TACR2
SCHEMBL4676879 0.76 CNR1 (0.50) CNR1CNR2TACR2
SCHEMBL27634833 0.75 ATR (0.42) ACVR1CNR1CNR2

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