SCHEMBL16355206

SCHEMBL16355206

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSCCOCCC(=O)N3CCN(CCOCCO)CC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
HTR1A P08908 4/20 0.36
DRD2 P14416 4/20 0.36
HTR7 P34969 4/20 0.36
HTR6 P50406 4/20 0.36
BRAF P15056 4/20 0.35
RAF1 P04049 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SMYD2 Q9NRG4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL15432739 0.99 SLC34A2 (0.60) SLC34A2HTR1ADRD2HTR7HTR6
SCHEMBL16355213 0.91 SLC34A2 (0.62) SLC34A2BRAFRAF1HTR2AHTR2C
SCHEMBL16355209 0.91 SLC34A2 (0.62) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432757 0.90 SLC34A2 (0.64) SLC34A2BRAFRAF1HTR2AHTR2C
SCHEMBL15432752 0.90 SLC34A2 (0.63) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15420892 0.90 SLC34A2 (0.56) SLC34A2DRD2BRAFRAF1HTR2A
SCHEMBL15432736 0.88 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19580025 0.88 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46437 0.88 SLC34A2 (0.60) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355211 0.88 SLC34A2 (0.64) SLC34A2BRAFRAF1ROCK2ROCK1

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-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed