SCHEMBL380327

SCHEMBL380327

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM3 P20309 18/20 0.52
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
Hydrochloric Acid SCHEMBL380829 0.97 CHRM2 (0.49) CHRM2CHRM3SLC2A1
SCHEMBL381202 0.93 CHRM2 (0.53) CHRM2CHRM3
SCHEMBL381175 0.91 CHRM2 (0.52) CHRM2CHRM3SLC2A1
SCHEMBL379977 0.90 CHRM3 (0.57) CHRM2CHRM3
SCHEMBL381659 0.90 CHRM3 (0.57) CHRM2CHRM3
Hydrochloric Acid SCHEMBL380940 0.90 CHRM3 (0.57) CHRM2CHRM3
SCHEMBL380842 0.90 CHRM2 (0.58) CHRM2CHRM3
SCHEMBL10279210 0.88 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL380151 0.87 CHRM3 (0.59) CHRM2CHRM3
SCHEMBL783807 0.87 CHRM2 (0.61) 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