SCHEMBL10514237

SCHEMBL10514237

OCc1ccc(O)c(C(O)CNCCCCCCOCCc2cc3ccccc3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.49
▸ ADRB1 P08588 16/20 0.49
▸ ADRB3 P13945 15/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ FPR3 P25089 1/20 0.49

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
SCHEMBL10338191 0.84 ADRB2 (0.52) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10513963 0.84 ADRB2 (0.49) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL9864677 0.82 ADRB2 (0.67) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL461364 0.82 ADRB2 (0.70) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL29751132 0.82 ADRB2 (0.70) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10514014 0.80 ADRB2 (0.52) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10697205 0.78 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10701369 0.78 ADRB2 (0.53) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL9509489 0.76 SLC2A1 (0.48) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL10513973 0.76 ADRB2 (0.52) ADRB2ADRB1ADRB3KDM4EMEN1

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-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 — — EP claimed
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