SCHEMBL11021733

SCHEMBL11021733

C[C@H](Cc1ccc([O])cc1)N(C[C@H](O)c1ccccc1)C[C@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL9814027 0.87 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9814024 0.87 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9813943 0.87 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9813936 0.87 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9813928 0.87 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10822515 0.83 ADRB3 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10822511 0.83 ADRB3 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10822520 0.83 ADRB3 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10526919 0.82 FFAR1 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10526937 0.82 FFAR1 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2

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-0164700-A2 Bis(beta-hydroxy phenethyl)amines BEECHAM GROUP PLC (GB) 1985-12-18 EP disclosed