SCHEMBL10465004

SCHEMBL10465004

CNc1cc(C(O)CN(CCCCCCOCCCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.38
▸ ADRB2 P07550 5/20 0.38
▸ ADRB1 P08588 4/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ ADRB3 P13945 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 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
SCHEMBL10766081 0.90 ADRB2 (0.38) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10465465 0.87 BACE1 (0.39) BCHEADRB2ADRB1ADRB3KMT2A
SCHEMBL9574255 0.85 FOLH1 (0.41) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10465045 0.83 ADRB2 (0.42) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10463962 0.83 MRGPRX4 (0.40) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10464981 0.81 ADRB2 (0.43) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10465029 0.81 ADRB2 (0.40) BCHEADRB2ADRB1DRD2DRD4
SCHEMBL10478216 0.81 NR1H3 (0.45) BCHEMEN1KMT2AMAOB
SCHEMBL10464521 0.80 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL5279069 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3MAOB

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
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 — — US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 — — EP disclosed
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