SCHEMBL2732066

SCHEMBL2732066

CN(CCN1CCNCC1)Cc1cccc(Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.44
BRAF P15056 7/20 0.40
SLC34A2 O95436 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
RAF1 P04049 2/20 0.38
DDR2 Q16832 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL39823 0.93 SLC34A2 (0.46) CHRM3BRAFSLC34A2HRH4RAF1
SCHEMBL40137 0.88 CHRM3 (0.43) CHRM3BRAFSLC34A2HRH4RAF1
SCHEMBL40112 0.88 SLC34A2 (0.48) BRAFSLC34A2HRH4RAF1KDM4E
SCHEMBL46678 0.85 SLC34A2 (0.48) CHRM3BRAFSLC34A2HRH4RAF1
SCHEMBL40118 0.84 CHRM3 (0.43) CHRM3SLC34A2ROCK2KDM1AHDAC1
SCHEMBL15432568 0.84 SLC34A2 (0.45) BRAFSLC34A2HRH4RAF1KDM4E
SCHEMBL46676 0.83 SLC34A2 (0.43) BRAFSLC34A2HRH4RAF1DDR2
SCHEMBL39969 0.83 SLC34A2 (0.45) BRAFSLC34A2HRH4RAF1KDM4E
SCHEMBL19596316 0.83 CHRM3 (0.42) CHRM3BRAFSLC34A2HRH4RAF1
SCHEMBL18059165 0.82 CHRM3 (0.45) CHRM3BRAFSLC34A2HRH4RAF1

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
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed