SCHEMBL7047635

SCHEMBL7047635

O=C(NN1CCCCC1)c1nc(CCc2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.64
CNR2 P34972 7/20 0.48

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
SCHEMBL7042592 0.94 CNR1 (0.62) CNR1CNR2
SCHEMBL7044549 0.92 CNR1 (0.64) CNR1CNR2
SCHEMBL7046386 0.91 CNR1 (0.62) CNR1CNR2
SCHEMBL7048167 0.84 CNR1 (0.64) CNR1CNR2
SCHEMBL7042633 0.82 CNR1 (0.52) CNR1CNR2
SCHEMBL4084159 0.81 CNR1 (0.78) CNR1CNR2
SCHEMBL7046420 0.80 CNR1 (0.64) CNR1CNR2
SCHEMBL4076039 0.79 CNR1 (1.00) CNR1CNR2
SCHEMBL7042512 0.73 CNR1 (0.58) CNR1CNR2
SCHEMBL7046434 0.71 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 1 patent. 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