SCHEMBL46855

SCHEMBL46855

N=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.54
NPFFR1 Q9GZQ6 2/20 0.54
IDO1 P14902 2/20 0.44
KDR P35968 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
NOTUM Q6P988 8/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
PDK1 Q15118 1/20 0.40
PYCR1 P32322 1/20 0.37
LMNA P02545 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
SCHEMBL23644090 0.84 NPFFR1 (0.41) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL16952200 0.82 NPFFR2 (0.57) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL40676 0.82 ALDH1A1 (0.57) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL9996969 0.82 NPFFR2 (0.53) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL9996968 0.82 NPFFR1 (0.53) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL2096623 0.79 NPFFR2 (0.50) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL2096625 0.79 NPFFR2 (0.50) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL1720610 0.77 NPFFR2 (0.53) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL15611217 0.77 NPFFR2 (0.65) NPFFR2NPFFR1IDO1KDRHTR3E
SCHEMBL15611218 0.77 NPFFR2 (0.65) NPFFR2NPFFR1IDO1KDRHTR3E

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-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed