SCHEMBL7044571

SCHEMBL7044571

O=C(NN1CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.55
CNR2 P34972 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7046434 0.90 CNR1 (0.57) CNR1CNR2
SCHEMBL7041816 0.84 SMN1; SMN2 (0.53) CNR1CNR2SMN1; SMN2HTT
SCHEMBL7046441 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL7045706 0.81 CNR1 (0.56) CNR1CNR2
SCHEMBL7044217 0.78 CNR1 (0.57) CNR1CNR2
SCHEMBL7044437 0.77 CNR1 (0.55) CNR1CNR2
SCHEMBL6552041 0.77 CNR1 (0.56) CNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7044592 0.77 CDC7 (0.44) CNR1CNR2ALDH1A1MAPTMAPK1
SCHEMBL6552432 0.77 CNR1 (0.57) CNR1CNR2
SCHEMBL7045579 0.77 CNR1 (0.57) CNR1CNR2

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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed