SCHEMBL6433084

SCHEMBL6433084

COC(=O)c1cccnc1-c1cccc(NCCCN(C[C@@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.42
ADRB3 P13945 12/20 0.42
ADRB2 P07550 11/20 0.42
RORB Q92753 1/20 0.32
BACE1 P56817 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNA5 P22460 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL7964117 0.87 ADRB1 (0.46) ADRB1ADRB3ADRB2
SCHEMBL5950125 0.87 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL5949915 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2SMN1; SMN2
SCHEMBL6433079 0.86 ADRB3 (0.48) ADRB1ADRB3ADRB2RORB
SCHEMBL6433080 0.86 ADRB3 (0.48) ADRB1ADRB3ADRB2RORB
SCHEMBL7975458 0.85 ADRB2 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6436830 0.85 ADRB1 (0.42) ADRB1ADRB3ADRB2BACE1
SCHEMBL6436894 0.85 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7963988 0.84 MAPT (0.37) ADRB1ADRB3ADRB2BACE1SMN1; SMN2
SCHEMBL6432465 0.83 ADRB3 (0.52) ADRB1ADRB3ADRB2

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