SCHEMBL6433728

SCHEMBL6433728

COC(=O)c1cncc(-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 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.45
ADRB3 P13945 9/20 0.45
ADRB2 P07550 8/20 0.45
KDR P35968 4/20 0.33
FGFR2 P21802 1/20 0.33
CASR P41180 1/20 0.33
ALPL P05186 4/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL6433735 1.00 ADRB1 (0.45) ADRB1ADRB3ADRB2KDRFGFR2
SCHEMBL6436894 0.96 ADRB1 (0.44) ADRB1ADRB3ADRB2KDRFGFR2
SCHEMBL6432460 0.94 ADRB3 (0.52) ADRB1ADRB3ADRB2CASRHCRTR1
SCHEMBL6432465 0.94 ADRB3 (0.52) ADRB1ADRB3ADRB2CASRHCRTR1
SCHEMBL6435850 0.89 ADRB2 (0.47) ADRB1ADRB3ADRB2CASRHCRTR1
SCHEMBL6435842 0.89 ADRB2 (0.47) ADRB1ADRB3ADRB2CASRHCRTR1
SCHEMBL6436830 0.88 ADRB1 (0.42) ADRB1ADRB3ADRB2CASR
SCHEMBL6436890 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPLCYP11B1
SCHEMBL6438761 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2ALPLCYP11B1
SCHEMBL6435843 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2CASR

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-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
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed