SCHEMBL381016

SCHEMBL381016

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCNc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM3 P20309 19/20 0.50
ADRB2 P07550 1/20 0.48

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
SCHEMBL380647 0.98 CHRM2 (0.57) CHRM2CHRM3ADRB2
SCHEMBL379962 0.97 CHRM2 (0.56) CHRM2CHRM3
SCHEMBL380369 0.97 CHRM2 (0.58) CHRM2CHRM3ADRB2
SCHEMBL381139 0.94 CHRM2 (0.55) CHRM2CHRM3ADRB2
SCHEMBL15061446 0.93 CHRM2 (0.56) CHRM2CHRM3ADRB2
SCHEMBL380915 0.92 CHRM2 (0.51) CHRM2CHRM3
SCHEMBL380957 0.92 CHRM2 (0.51) CHRM2CHRM3
SCHEMBL381480 0.92 CHRM2 (0.50) CHRM2CHRM3
SCHEMBL10279628 0.91 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL381214 0.91 CHRM2 (0.50) 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