SCHEMBL5751217

SCHEMBL5751217

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CO.COC(C)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.43
MAPT P10636 6/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
DHODH Q02127 1/20 0.40
PTPN11 Q06124 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4679820 0.86 TARBP2 (0.55) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL4680986 0.85 CDH1 (0.43) DHODHALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4677506 0.83 TARBP2 (0.52) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL4680694 0.83 TARBP2 (0.52) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL5755581 0.81 TARBP2 (0.50) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL4680961 0.79 TARBP2 (0.58) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL4680740 0.77 SMN1; SMN2 (0.47) MAPTDHODHALDH1A1LMNACNR1
SCHEMBL4681325 0.77 TARBP2 (0.53) TARBP2MAPTTRPM8GABRA2GABRB2
SCHEMBL4681469 0.76 CDH1 (0.48) DHODHALDH1A1LMNACYP1A2CYP2C9
SCHEMBL5751178 0.76 TARBP2 (0.47) TARBP2MAPTTRPM8GABRA2GABRB2

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-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed