SCHEMBL6434933

SCHEMBL6434933

O=C(ON1CCCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.50
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 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
SCHEMBL5161565 0.98 CHRM3 (0.49) CHRM3CHRM2CHRM1ALDH1A1CHRM4
SCHEMBL27768710 0.76 HPGD (0.45) ALDH1A1
SCHEMBL2510973 0.74 KMT2A (0.50) ALDH1A1
SCHEMBL11878020 0.73 CHRM3 (0.49) CHRM3CHRM2CHRM1ALDH1A1CHRM4
SCHEMBL1249246 0.73 HPGD (0.53) ALDH1A1
SCHEMBL28495717 0.73 HPGD (0.53) ALDH1A1
Piperilate SCHEMBL26493 0.72 ALDH1A1 (0.78) CHRM3CHRM2CHRM1ALDH1A1CHRM4
SCHEMBL29098438 0.71 HPGD (0.52) ALDH1A1
Piperilate SCHEMBL1650954 0.71 ALDH1A1 (0.76) CHRM3CHRM2CHRM1ALDH1A1CHRM4
SCHEMBL1871564 0.70 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5

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
EP-1589959-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed