SCHEMBL9333145

SCHEMBL9333145

O=C(O)Cc1ccc(CCNC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.70
ADRB1 P08588 4/20 0.70
ALOX15 P16050 1/20 0.68
ADRB2 P07550 5/20 0.68
KDM4E B2RXH2 1/20 0.66
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL9332821 1.00 ADRB3 (0.70) ADRB3ADRB1ALOX15ADRB2KDM4E
Hydrochloric Acid SCHEMBL9332705 0.99 ALOX15 (0.70) ADRB3ADRB1ALOX15ADRB2KDM4E
Hydrochloric Acid SCHEMBL9332693 0.99 ALOX15 (0.70) ADRB3ADRB1ALOX15ADRB2KDM4E
SCHEMBL9332734 0.86 KDM4E (0.71) ADRB3ADRB1ALOX15ADRB2KDM4E
SCHEMBL9333215 0.86 KDM4E (0.71) ADRB3ADRB1ALOX15ADRB2KDM4E
SCHEMBL10720145 0.86 ADRB2 (0.77) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL12835897 0.85 ADRB3 (0.70) ADRB3ADRB1ADRB2KDM4EGAA
Hydrochloric Acid SCHEMBL9333230 0.85 KDM4E (0.70) ADRB3ADRB1ALOX15ADRB2KDM4E
SCHEMBL4467885 0.83 ADRB2 (0.73) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL9543386 0.83 ADRB2 (0.73) ADRB3ADRB1ADRB2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591503-A1 4-[2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHYL]PHENYLACETIC ACID AS BETA 3-ADRENOCEPTOR-AGONIST ZENECA LIMITED (GB) 1994-04-13 EP claimed
WO-1993022277-A1 4-[2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHYL]PHENYLACETIC ACID AS BETA3-ADRENOCEPTOR-AGONIST ZENECA LIMITED (GB) 1993-11-11 WO claimed
EP-0591503-A1 4-[2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHYL]PHENYLACETIC ACID AS BETA 3-ADRENOCEPTOR-AGONIST ZENECA LIMITED (GB) 1994-04-13 EP disclosed
WO-1993022277-A1 4-[2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHYL]PHENYLACETIC ACID AS BETA3-ADRENOCEPTOR-AGONIST ZENECA LIMITED (GB) 1993-11-11 WO disclosed