SCHEMBL380992

SCHEMBL380992

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
CHRM3 P20309 18/20 0.53
SLC2A1 P11166 1/20 0.49

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
SCHEMBL381053 0.99 CHRM2 (0.60) CHRM2CHRM3SLC2A1
SCHEMBL380227 0.95 CHRM2 (0.60) CHRM2CHRM3SLC2A1
SCHEMBL381280 0.95 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL381424 0.94 CHRM2 (0.54) CHRM2CHRM3SLC2A1
SCHEMBL380299 0.94 CHRM2 (0.54) CHRM2CHRM3SLC2A1
SCHEMBL799580 0.93 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL783807 0.93 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL381023 0.93 CHRM2 (0.53) CHRM2CHRM3SLC2A1
SCHEMBL10279762 0.93 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL798854 0.93 CHRM2 (0.60) 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