SCHEMBL9286372

SCHEMBL9286372

OC(CNCCCCCCOCCc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ ADRB3 P13945 8/20 0.54
▸ ADRB2 P07550 5/20 0.54
▸ ADRB1 P08588 4/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ CHRM5 P08912 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ FPR3 P25089 1/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ HTR1D P28221 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ HTR2A P28223 1/20 0.54

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
SCHEMBL9261500 0.91 ADRB2 (0.58) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9258109 0.90 ADRB2 (0.64) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9256991 0.89 ADRB2 (0.61) SMN1; SMN2MEN1KMT2AADRB3ADRB2
SCHEMBL9285696 0.88 ADRB2 (0.59) SMN1; SMN2MEN1KMT2AADRB3ADRB2
SCHEMBL9259555 0.87 ADRB2 (0.64) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9252012 0.85 ADRB2 (0.70) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9262566 0.85 ADRB2 (0.70) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL10477765 0.85 ADRB2 (0.62) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9255595 0.85 ADRB2 (0.66) SMN1; SMN2MEN1KMT2ARAB9AADRB3
SCHEMBL9281661 0.84 ADRB2 (0.56) SMN1; SMN2MEN1KMT2AADRB3ADRB2

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
WO-1995019336-A1 PHENYL ETHANOL AMINE ETHERS AND USES THEREOF AS β-ADRENO-RECEPTOR AGONISTS IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-07-20 — — WO claimed
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