SCHEMBL15061368

SCHEMBL15061368

CNCCCN(C)C(=O)c1ccc(N2CCC(CCC(=O)N(C)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM3 P20309 19/20 0.51
ADRB2 P07550 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
SCHEMBL783754 0.93 CHRM2 (0.59) CHRM2CHRM3ADRB2
SCHEMBL380182 0.90 CHRM2 (0.56) CHRM2CHRM3ADRB2
SCHEMBL380705 0.90 CHRM2 (0.57) CHRM2CHRM3
SCHEMBL798726 0.88 CHRM2 (0.57) CHRM2CHRM3ADRB2
SCHEMBL381280 0.87 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL380604 0.85 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL380992 0.85 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL381538 0.84 CHRM2 (0.58) CHRM2CHRM3ADRB2
SCHEMBL381053 0.84 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL768948 0.84 MCHR1 (0.43) CHRM2

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
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed