SCHEMBL9537114

SCHEMBL9537114

N#Cc1cccc(OCC(O)CNC2CCCc3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 4/20 0.64
HTT P42858 2/20 0.63
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ADRB2 P07550 2/20 0.59
ADRB1 P08588 2/20 0.59
ADRB3 P13945 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 3/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
PRMT5 O14744 3/20 0.47
WDR77 Q9BQA1 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL9588479 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9537291 0.90 ALDH1A1 (0.71) ALDH1A1KDM4EHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL9587817 0.89 ALDH1A1 (0.70) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9539870 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL9588155 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9588898 0.82 ALDH1A1 (0.90) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9534572 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9539834 0.82 KMT2A (0.70) ALDH1A1KDM4EHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL9587788 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL9538697 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EHTTKMT2AMEN1

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-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed