SCHEMBL9537979

SCHEMBL9537979

CCCCCOCC(O)CNC1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ADRB2 P07550 3/20 0.64
ADRB1 P08588 3/20 0.64
MEN1 O00255 2/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRB3 P13945 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 5/20 0.58
HTT P42858 3/20 0.58
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TAOK1 Q7L7X3 6/20 0.48
TAOK3 Q9H2K8 4/20 0.48

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
SCHEMBL14355265 0.86 KMT2A (0.69) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL5715164 0.82 ADRB2 (0.66) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL9540272 0.80 KMT2A (0.77) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL30541631 0.78 KMT2A (1.00) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL3692842 0.78 KMT2A (1.00) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL29766867 0.78 KMT2A (1.00) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL20608337 0.78 KMT2A (1.00) KMT2AADRB2ADRB1MEN1TP53
SCHEMBL9537333 0.78 KMT2A (0.77) KMT2AADRB2ADRB1MEN1TP53
Hydrochloric Acid SCHEMBL2334376 0.78 KMT2A (0.98) KMT2AADRB2ADRB1MEN1TP53
Hydrochloric Acid SCHEMBL9588039 0.77 KMT2A (0.76) KMT2AADRB2ADRB1MEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
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