SCHEMBL6663170

SCHEMBL6663170

COc1ccc(NC(=O)OCC2CCNCC2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.67
▸ CHRM2 P08172 14/20 0.67
▸ CHRM1 P11229 14/20 0.67
▸ ALDH1A1 P00352 1/20 0.54
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL6667511 0.85 CHRM3 (0.67) CHRM3CHRM2CHRM1HDAC1HDAC2
SCHEMBL6664310 0.83 ALDH1A1 (0.53) CHRM3CHRM2CHRM1ALDH1A1NPC1
SCHEMBL6665392 0.81 ALDH1A1 (0.51) CHRM3CHRM2CHRM1ALDH1A1NPC1
SCHEMBL22484272 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1HDAC1HDAC2
SCHEMBL5225659 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1ALDH1A1HDAC1
SCHEMBL6668796 0.79 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL6665368 0.79 NPSR1 (0.52) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL6664922 0.78 NPSR1 (0.48) CHRM3CHRM2CHRM1ALDH1A1HDAC1
SCHEMBL6669041 0.78 ALDH1A1 (0.48) CHRM3CHRM2CHRM1ALDH1A1HDAC1
SCHEMBL6681189 0.76 ALDH1A1 (0.61) CHRM3ALDH1A1NPC1RAB9A

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-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 — — WO disclosed
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