SCHEMBL7046435

SCHEMBL7046435

CN(C)CCN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.53
▸ PYGL P06737 2/20 0.44
▸ BRAF P15056 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL7040153 0.92 CNR1 (0.51) CNR1PYGL
SCHEMBL7043447 0.90 CNR1 (0.50) CNR1PYGL
SCHEMBL7043336 0.90 CNR1 (0.53) CNR1PYGL
SCHEMBL7041071 0.90 CNR1 (0.49) CNR1PYGL
SCHEMBL6552429 0.87 CNR1 (0.63) CNR1
SCHEMBL7044597 0.87 CNR1 (0.63) CNR1
SCHEMBL7044215 0.86 CNR1 (0.61) CNR1
SCHEMBL7044691 0.83 CNR1 (0.51) CNR1PYGL
SCHEMBL7044496 0.83 CNR1 (0.51) CNR1
SCHEMBL7044204 0.80 CNR1 (0.58) CNR1PYGL

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
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