SCHEMBL381208

SCHEMBL381208

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN(Cc2ccc(C(=O)O)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.68
CHRM3 P20309 19/20 0.56
ADRB2 P07550 1/20 0.55

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
SCHEMBL381135 0.95 CHRM2 (0.68) CHRM2CHRM3ADRB2
SCHEMBL768624 0.94 CHRM2 (0.67) CHRM2CHRM3ADRB2
SCHEMBL643165 0.87 CHRM2 (0.75) CHRM2CHRM3ADRB2
SCHEMBL24906748 0.87 CHRM2 (0.79) CHRM2CHRM3ADRB2
SCHEMBL24906759 0.87 CHRM3 (0.68) CHRM2CHRM3
SCHEMBL643435 0.86 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL645318 0.86 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL644910 0.86 CHRM2 (0.79) CHRM2CHRM3ADRB2
SCHEMBL644610 0.86 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL19996286 0.86 CHRM2 (0.78) CHRM2CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP disclosed