SCHEMBL380915

SCHEMBL380915

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(C(=O)N(CCCN(C)C(=O)OC(C)(C)C)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM3 P20309 17/20 0.47
SLC2A1 P11166 2/20 0.46

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
SCHEMBL379962 0.94 CHRM2 (0.56) CHRM2CHRM3SLC2A1
SCHEMBL380647 0.94 CHRM2 (0.57) CHRM2CHRM3
SCHEMBL381016 0.92 CHRM2 (0.58) CHRM2CHRM3
SCHEMBL380957 0.92 CHRM2 (0.51) CHRM2CHRM3SLC2A1
SCHEMBL381480 0.91 CHRM2 (0.50) CHRM2CHRM3SLC2A1
SCHEMBL381214 0.91 CHRM2 (0.50) CHRM2CHRM3SLC2A1
SCHEMBL380299 0.90 CHRM2 (0.54) CHRM2CHRM3SLC2A1
SCHEMBL380369 0.90 CHRM2 (0.58) CHRM2CHRM3
SCHEMBL380394 0.90 CHRM2 (0.49) CHRM2CHRM3SLC2A1
SCHEMBL768745 0.87 CHRM2 (0.54) 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