SCHEMBL40118

SCHEMBL40118

CN(CCN1CCNCC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccccc3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.43
KDM1A O60341 3/20 0.43
HDAC1 Q13547 3/20 0.43
SMYD2 Q9NRG4 4/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SLC34A2 O95436 1/20 0.38
CXCR3 P49682 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 0.92 SLC34A2 (0.46) CHRM3KDM1AHDAC1SLC34A2
SCHEMBL46984 0.91 KDM1A (0.42) KDM1AHDAC1SMYD2ROCK2SLC34A2
SCHEMBL40112 0.86 SLC34A2 (0.48) KDM1AHDAC1SMYD2ROCK2SLC34A2
SCHEMBL2732066 0.84 CHRM3 (0.44) CHRM3KDM1AHDAC1ROCK2SLC34A2
SCHEMBL40137 0.84 CHRM3 (0.43) CHRM3SMYD2SLC34A2
SCHEMBL5999946 0.83 SLC34A2 (0.34) CHRM3KDM1AHDAC1SMYD2SLC34A2
SCHEMBL46678 0.83 SLC34A2 (0.48) CHRM3ROCK2ROCK1SLC34A2
SCHEMBL5999844 0.83 CHRM3 (0.56) CHRM3
SCHEMBL15432568 0.83 SLC34A2 (0.45) KDM1AHDAC1SMYD2ROCK2SLC34A2
SCHEMBL39969 0.81 SLC34A2 (0.45) KDM1AHDAC1SMYD2SLC34A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed