SCHEMBL381439

SCHEMBL381439

COc1cc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
CHRM3 P20309 17/20 0.47
ADRB2 P07550 2/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL783895 0.92 SLC2A1 (0.52) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL380349 0.91 SLC2A1 (0.49) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL380956 0.89 CHRM2 (0.48) SLC2A1CHRM3CHRM2
SCHEMBL768530 0.87 ADRB2 (0.36) SLC2A1CHRM3ADRB2
SCHEMBL768531 0.86 HTR4 (0.36) SLC2A1CHRM3ADRB2
SCHEMBL379962 0.85 CHRM2 (0.56) SLC2A1CHRM3CHRM2
SCHEMBL380647 0.84 CHRM2 (0.57) CHRM3ADRB2CHRM2
SCHEMBL783947 0.83 SLC2A1 (0.54) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL381102 0.83 SLC2A1 (0.54) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL381016 0.83 CHRM2 (0.58) CHRM3ADRB2CHRM2

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