SCHEMBL4613332

SCHEMBL4613332

CCOC(=O)C(C)C(=O)c1ccc(OCc2ccccc2)cc1.CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(OCc3ccccc3)cc2)c1C.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
MDM2 Q00987 3/20 0.42
MCL1 Q07820 2/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 2/20 0.40
DGAT1 O75907 1/20 0.40
CYP19A1 P11511 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL4611618 0.90 PDE4B (0.47) CNR1ALDH1A1NPSR1PDE4BDGAT1
SCHEMBL4247698 0.82 CNR1 (0.59) CNR1CNR2
SCHEMBL4612821 0.82 LPAR5 (0.42) CNR1LPAR5CNR2
SCHEMBL4613060 0.81 MDM2 (0.47) CNR1MDM2MCL1LPAR5CNR2
SCHEMBL4612523 0.80 CNR1 (0.57) CNR1CNR2
SCHEMBL4611371 0.79 CNR1 (0.51) CNR1CYP19A1CNR2
SCHEMBL4633677 0.78 PDE4B (0.52) CNR1L3MBTL1ALDH1A1NPSR1PDE4B
SCHEMBL4910813 0.78 PDE4B (0.54) CNR1ALDH1A1NPSR1PDE4BPDE4A
SCHEMBL700719 0.77 CNR1 (0.58) CNR1PDE4BCYP19A1CNR2
SCHEMBL4599839 0.77 L3MBTL1 (0.66) LMNAL3MBTL1ALDH1A1

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-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed