SCHEMBL989108

SCHEMBL989108

CC(C)(C)ON(C=O)CCCCCCCCCCCCN

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CPB2 Q96IY4 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30

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
SCHEMBL7704514 0.98 CHRM2 (0.35) CHRM2
SCHEMBL3982585 0.92
SCHEMBL4502028 0.84 TDP1 (0.33)
SCHEMBL7386766 0.81 ADH1C (0.30) ADH1CADH1AADH4
SCHEMBL7391165 0.81 ADH1C (0.30) ADH1CADH1AADH4
SCHEMBL6676603 0.81 TDP1 (0.36) ADH1CADH1AADH4
SCHEMBL1328304 0.81 SOAT1 (0.36)
SCHEMBL27640464 0.80 CYP2C9 (0.44)
SCHEMBL4818147 0.79 TDP1 (0.33)
SCHEMBL6209232 0.79 ADH1C (0.36) ADH1CADH1AADH4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed