SCHEMBL10149663

SCHEMBL10149663

CCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)c2)c(C(=O)Nc2cnc(-c3ccccc3)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.38
SLC34A2 O95436 1/20 0.37
TRPV1 Q8NER1 3/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV4 Q9HBA0 3/20 0.33
CYP2C19 P33261 2/20 0.33
GFER P55789 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MAPK14 Q16539 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL10149231 0.85 RXFP1 (0.39) ATRTRPV1MAPTLMNASMN1; SMN2
SCHEMBL15433044 0.76 RXFP1 (0.39) ATRTRPV1MAPTLMNASMN1; SMN2
SCHEMBL10148883 0.73 LCK (0.51) LMNATRPV4MAPK14RXFP1KDR
SCHEMBL40113 0.72 SLC34A2 (0.68) SLC34A2LMNACYP2C19CYP1A2MAPK14
SCHEMBL15432957 0.69 SLC34A2 (0.54) SLC34A2MAPTLMNASMN1; SMN2HTT
SCHEMBL6001678 0.68 SLC34A2 (0.64) SLC34A2MAPTLMNASMN1; SMN2HTT
SCHEMBL40283 0.68 ACACB (0.39) ATRL3MBTL1MAPK14
SCHEMBL15432693 0.66 SLC34A2 (0.72) SLC34A2LMNACYP2C19CYP1A2MAPK14
SCHEMBL15444448 0.66 SLC34A2 (0.60) SLC34A2LMNASMN1; SMN2HTT
SCHEMBL47003 0.65 SLC34A2 (0.79) SLC34A2MAPTLMNASMN1; SMN2HTT

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-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed