SCHEMBL5737797

SCHEMBL5737797

CC(C)(C)OC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NCCc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
CNR1 P21554 2/20 0.39
THRB P10828 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
NQO2 P16083 1/20 0.38
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT1 Q96EB6 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
SCHEMBL4684369 0.81 CNR1 (0.53) PDE4BCNR1
SCHEMBL5754645 0.78 GABRA5 (0.43) PDE4BCNR1MAPTEGLN1
SCHEMBL5463778 0.77 NPC1 (0.43) LMNACNR1NPC1RAB9A
SCHEMBL5458659 0.76 GABRA5 (0.45) CNR1KMT2ANPC1RAB9A
SCHEMBL5749906 0.75 UTS2R (0.41) LMNACNR1P2RX7
SCHEMBL5483536 0.75 CNR1 (0.41) LMNACNR1THRBMAPTNPC1
SCHEMBL4680498 0.75 HTT (0.48) CNR1
SCHEMBL4678614 0.75 CNR1 (0.44) CNR1MAPT
SCHEMBL4677223 0.74 CNR1 (0.44) LMNACNR1NPC1RAB9A
SCHEMBL5483533 0.74 CNR2 (0.46) CNR1KMT2AMAPTNPC1RAB9A

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
EP-1638956-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111039-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed