SCHEMBL380962

SCHEMBL380962

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.52
CHRM2 P08172 1/20 0.49
CHRM3 P20309 17/20 0.48
ADRB2 P07550 3/20 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
SCHEMBL380424 0.93 CHRM2 (0.50) CHRM2CHRM3
SCHEMBL380442 0.92 CHRM2 (0.51) SLC2A1CHRM2CHRM3
SCHEMBL381015 0.92 SLC2A1 (0.56) SLC2A1CHRM3ADRB2
SCHEMBL380349 0.91 SLC2A1 (0.49) SLC2A1CHRM2CHRM3ADRB2
SCHEMBL380992 0.89 CHRM2 (0.60) SLC2A1CHRM2CHRM3
SCHEMBL381053 0.88 CHRM2 (0.60) SLC2A1CHRM2CHRM3
SCHEMBL783823 0.86 CHRM3 (0.51) CHRM2CHRM3
SCHEMBL380326 0.86 CHRM3 (0.64) CHRM3
SCHEMBL783791 0.86 CHRM2 (0.50) SLC2A1CHRM2CHRM3
SCHEMBL381424 0.85 CHRM2 (0.54) SLC2A1CHRM2CHRM3

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