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SCHEMBL5201399

SCHEMBL5201399

CC(c1ccc(Cl)cc1)C(CNC(=O)C1(c2ccc(F)cc2)CCCC1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ CNR1 P21554 17/20 0.44
▸ CNR2 P34972 11/20 0.44
▸ HDAC4 P56524 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
SCHEMBL5202867 0.92 CNR1 (0.45) TRPA1CNR1CNR2HDAC4
SCHEMBL5203142 0.90 ALDH1A1 (0.48) TRPA1CNR1CNR2HDAC4
SCHEMBL5202699 0.89 CNR1 (0.44) CNR1CNR2
SCHEMBL5206175 0.87 HDAC4 (0.48) CNR1CNR2HDAC4
SCHEMBL5202925 0.83 CNR1 (0.48) CNR1CNR2
SCHEMBL4822168 0.83 CNR1 (0.61) CNR1CNR2
SCHEMBL5201393 0.80 TRPA1 (0.53) TRPA1CNR1
SCHEMBL5206207 0.80 CNR1 (0.51) CNR1CNR2
SCHEMBL5203380 0.78 HDAC4 (0.42) TRPA1CNR1CNR2HDAC4
SCHEMBL4822971 0.78 CNR1 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 — — EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 — — EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 — — WO disclosed