SCHEMBL9192035

SCHEMBL9192035

O=C(O)Cc1ccc(OCCNCC(O)c2cccc(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.76
ADRB3 P13945 16/20 0.53
ADRB1 P08588 13/20 0.53
CNR2 P34972 1/20 0.46
PPARD Q03181 1/20 0.45

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
SCHEMBL9189190 0.90 ALOX15 (0.73) ALOX15ADRB3ADRB1PPARD
Hydrochloric Acid SCHEMBL9192357 0.89 ALOX15 (0.63) ALOX15ADRB3ADRB1
Hydrochloric Acid SCHEMBL9193286 0.89 ALOX15 (0.62) ALOX15ADRB3ADRB1
Talibegron SCHEMBL328977 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1
Talibegron SCHEMBL3699503 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1
Talibegron SCHEMBL6060362 0.87 ALOX15 (0.97) ALOX15ADRB3ADRB1
SCHEMBL9192021 0.87 ALOX15 (0.76) ALOX15ADRB3ADRB1
SCHEMBL9186507 0.87 ALOX15 (0.76) ALOX15ADRB3ADRB1PPARD
SCHEMBL9192309 0.87 ALOX15 (0.76) ALOX15ADRB3ADRB1PPARD
SCHEMBL9188713 0.86 ALOX15 (0.71) ALOX15ADRB3ADRB1

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-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP claimed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP claimed
EP-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed