SCHEMBL6432460

SCHEMBL6432460

COC(=O)c1cccc(-c2cccc(NCCN(C[C@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.52
ADRB1 P08588 10/20 0.52
ADRB2 P07550 8/20 0.52
CASR P41180 5/20 0.38
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PLAU P00749 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL6432465 1.00 ADRB3 (0.52) ADRB3ADRB1ADRB2CASRHCRTR1
SCHEMBL6435842 0.95 ADRB2 (0.47) ADRB3ADRB1ADRB2CASRHCRTR1
SCHEMBL6435850 0.95 ADRB2 (0.47) ADRB3ADRB1ADRB2CASRHCRTR1
SCHEMBL6433735 0.94 ADRB1 (0.45) ADRB3ADRB1ADRB2CASRHCRTR1
SCHEMBL6433728 0.94 ADRB1 (0.45) ADRB3ADRB1ADRB2CASRHCRTR1
SCHEMBL6435843 0.92 ADRB1 (0.43) ADRB3ADRB1ADRB2CASR
SCHEMBL6436830 0.91 ADRB1 (0.42) ADRB3ADRB1ADRB2CASR
SCHEMBL6438415 0.90 ADRB2 (0.45) ADRB3ADRB1ADRB2
SCHEMBL6438418 0.90 ADRB2 (0.45) ADRB3ADRB1ADRB2
SCHEMBL6436894 0.90 ADRB1 (0.44) ADRB3ADRB1ADRB2CASR

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
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed