SCHEMBL46455

SCHEMBL46455

Cc1cccc(CNC(=O)c2ccnc(-c3cc(N4CCCCC4)ccc3NC(=O)c3cccc(CN4CCC(N)CC4)n3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.37
WDR5 P61964 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
KDM1A O60341 3/20 0.36
HDAC1 Q13547 3/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ACKR3 P25106 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SMYD2 Q9NRG4 2/20 0.36
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL5999504 0.83 MRGPRX2 (0.43) CHRM3ACKR3DRD4
SCHEMBL39817 0.82 SLC34A2 (0.43) CHRM3
SCHEMBL46454 0.81 CCR2 (0.46)
SCHEMBL46801 0.81 CCR2 (0.46)
SCHEMBL6000454 0.81 CCR2 (0.46)
SCHEMBL5999844 0.81 CHRM3 (0.56) CHRM3
SCHEMBL5998433 0.81 SLC34A2 (0.47) CHRM3ACKR3DRD4
SCHEMBL46720 0.80 SLC34A2 (0.42) CHRM3SMYD2
SCHEMBL45016 0.80 CHRM3 (0.48) CHRM3
Trifluoroacetic Acid SCHEMBL18040405 0.80 CCR2 (0.44)

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-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed