SCHEMBL23734860

SCHEMBL23734860

CSc1ccccc1C(=O)N1CC[C@H](Oc2cccc(N)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
GAA P10253 1/20 0.39
SCD5 Q86SK9 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SPR P35270 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23734784 0.86 ALDH1A1 (0.51) HTTKMT2ALMNAALDH1A1HRH1
SCHEMBL22735458 0.80 HCRTR1 (0.48) KMT2AMEN1ALDH1A1HCRTR1HCRTR2
SCHEMBL23716678 0.79 SPR (0.48) KMT2AMEN1HCRTR1HCRTR2SPR
SCHEMBL596167 0.78 OPRK1 (0.44) KMT2AMEN1SCD5SPR
SCHEMBL596166 0.78 OPRK1 (0.44) KMT2AMEN1SCD5SPR
SCHEMBL23734969 0.77 HTT (0.51) HTTKMT2AMEN1GAA
SCHEMBL22735588 0.77 HTT (0.51) HTTKMT2AMEN1GAA
SCHEMBL23734850 0.77 SMN1; SMN2 (0.48) HTTKMT2ALMNAMEN1ALDH1A1
SCHEMBL1032633 0.74 USP30 (0.56) KMT2AMEN1
SCHEMBL8248136 0.74 USP30 (0.56) KMT2AMEN1

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
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed