SCHEMBL5999844

SCHEMBL5999844

Cc1cccc(CNC(=O)c2ccnc(-c3cc(N4CCCCC4)ccc3NC(=O)c3cccc(CN4CCNCC4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.56
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL46748 0.90 CHRM3 (0.58) CHRM3
SCHEMBL46725 0.88 CHRM3 (0.56) CHRM3
SCHEMBL19596297 0.84 SLC34A2 (0.50) CHRM3
SCHEMBL16355250 0.83 SLC34A2 (0.51)
SCHEMBL19579973 0.83 SLC34A2 (0.53)
SCHEMBL40118 0.83 CHRM3 (0.43) CHRM3
SCHEMBL15420846 0.81 SLC34A2 (0.48) CHRM3
SCHEMBL19595921 0.81 HPGDS (0.45) CHRM3
SCHEMBL46455 0.81 CHRM3 (0.37) CHRM3
SCHEMBL46985 0.81 SLC34A2 (0.48) CHRM3

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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed