SCHEMBL4678722

SCHEMBL4678722

O=C(NN1CCCCC1)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1nnnc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.42
CNR1 P21554 12/20 0.40
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
CNR2 P34972 2/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4680618 0.94 LIPE (0.45) LIPECNR1CNR2
SCHEMBL4677630 0.87 CNR1 (0.46) CNR1PIK3CAMTORPIK3CGCNR2
SCHEMBL4676521 0.85 LIPE (0.44) LIPECNR1PIK3CAMTORPIK3CG
SCHEMBL4684182 0.85 LIPE (0.46) LIPECNR1CNR2
SCHEMBL4684381 0.84 LIPE (0.50) LIPECNR1CNR2ALDH1A1
SCHEMBL4680719 0.80 CNR1 (0.49) CNR1CNR2
SCHEMBL4684331 0.79 LIPE (0.54) LIPECNR1CNR2MEN1KMT2A
SCHEMBL4677885 0.78 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4680352 0.77 LIPE (0.47) LIPECNR1CNR2ALDH1A1
SCHEMBL4679631 0.77 LIPE (0.47) LIPECNR1CNR2

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
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed