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SCHEMBL8586129

SCHEMBL8586129

COC(=O)c1ccc2cc(NC[C@@H](C)N(C[C@@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 10/20 0.37
▸ ADRB1 P08588 9/20 0.37
▸ ADRB2 P07550 9/20 0.37
▸ PLAU P00749 2/20 0.35
▸ CASR P41180 3/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL8586133 1.00 ADRB3 (0.37) ADRB3ADRB1ADRB2PLAUCASR
SCHEMBL6435349 0.90 ADRB1 (0.44) ADRB3ADRB1ADRB2PLAU
SCHEMBL6435351 0.90 ADRB1 (0.44) ADRB3ADRB1ADRB2PLAU
SCHEMBL7977641 0.90 ADRB1 (0.49) ADRB3ADRB1ADRB2PLAUCASR
SCHEMBL7977640 0.90 ADRB1 (0.49) ADRB3ADRB1ADRB2PLAUCASR
SCHEMBL6437274 0.87 ADRB1 (0.43) ADRB3ADRB1ADRB2CASRPTGER4
SCHEMBL6432983 0.87 ADRB1 (0.43) ADRB3ADRB1ADRB2CASRPTGER4
SCHEMBL6436890 0.85 ADRB1 (0.43) ADRB3ADRB1ADRB2
SCHEMBL6436892 0.85 ADRB1 (0.43) ADRB3ADRB1ADRB2
SCHEMBL6438761 0.85 ADRB1 (0.43) ADRB3ADRB1ADRB2

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
WO-1998043953-A1 NAPHTHALENESULPHONIC OR CARBOXYLIC ACIDS AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1998-10-08 — — WO disclosed