SCHEMBL8766509

SCHEMBL8766509

O=C(O)COc1ccc2c(c1)C[C@H](NC[C@H](O)c1cccc(Cl)c1)CCC2

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.90
ADRB1 P08588 7/20 0.90

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
SCHEMBL4394231 1.00 ADRB3 (0.90) ADRB3ADRB1
SCHEMBL4394226 1.00 ADRB3 (0.90) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3776071 0.99 ADRB3 (0.88) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3776076 0.99 ADRB3 (0.88) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4396758 0.98 ADRB3 (0.87) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4396756 0.98 ADRB3 (0.87) ADRB3ADRB1
SCHEMBL4640099 0.95 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL3873178 0.95 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL3873179 0.95 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3878376 0.94 ADRB3 (0.98) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787169-A1 METHINE AND AZO DYE-CONTAINING DYE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 1997-08-06 EP claimed
WO-1996011987-A1 METHINE AND AZO DYE-CONTAINING DYE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 1996-04-25 WO claimed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed