SCHEMBL22397197

SCHEMBL22397197

C[C@@](N)(CO)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL15989875 1.00 MEN1 (0.54) MEN1KMT2ASLC6A2HTR2ASLC6A4
SCHEMBL22612421 1.00 MEN1 (0.54) MEN1KMT2ASLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL31752444 0.98 MEN1 (0.52) MEN1KMT2ASLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL31303042 0.98 MEN1 (0.52) MEN1KMT2ASLC6A2HTR2ASLC6A4
SCHEMBL8760835 0.82 SLC6A2 (0.48) MEN1KMT2ASLC6A2HTR2ASLC6A4
SCHEMBL7837799 0.81 ESR1 (0.56) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8891278 0.81 LMNA (0.56) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL17018523 0.79 TSHR (0.50) SLC6A2SLC6A4SLC6A3TSHRCYP19A1
SCHEMBL11319289 0.79 MEN1 (0.56) MEN1KMT2ASLC6A2HTR2ASLC6A4
SCHEMBL1807039 0.79 MEN1 (0.56) MEN1KMT2ASLC6A2HTR2ASLC6A4

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-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed