SCHEMBL381233

SCHEMBL381233

CNCCN(C)C(=O)c1sc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM3 P20309 18/20 0.49
SLC2A1 P11166 1/20 0.47

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
SCHEMBL783935 0.93 SLC2A1 (0.49) CHRM2CHRM3SLC2A1
SCHEMBL379981 0.91 CHRM2 (0.47) CHRM2CHRM3SLC2A1
SCHEMBL381260 0.90 CHRM2 (0.50) CHRM2CHRM3SLC2A1
SCHEMBL380326 0.86 CHRM3 (0.64) CHRM3
SCHEMBL768738 0.84 OPRM1 (0.34) CHRM2SLC2A1
SCHEMBL10279584 0.84 CHRM3 (0.56) CHRM2CHRM3
SCHEMBL768739 0.84 HRH3 (0.33) CHRM2SLC2A1
SCHEMBL381053 0.82 CHRM2 (0.60) CHRM2CHRM3SLC2A1
SCHEMBL380992 0.82 CHRM2 (0.60) CHRM2CHRM3SLC2A1
SCHEMBL10279308 0.82 CHRM3 (0.53) CHRM2CHRM3

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
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP disclosed