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SCHEMBL6436830

SCHEMBL6436830

COC(=O)c1ccc(-c2cccc(NCCN(C[C@H](O[Si](C)(C)C(C)(C)C)c3cccc(Cl)c3)C(=O)OC(C)(C)C)c2)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 17/20 0.42
▸ ADRB3 P13945 17/20 0.42
▸ ADRB2 P07550 14/20 0.42
▸ S1PR1 P21453 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL6436834 0.96 ADRB1 (0.40) ADRB1ADRB3ADRB2
SCHEMBL6432460 0.91 ADRB3 (0.52) ADRB1ADRB3ADRB2CASR
SCHEMBL6432465 0.91 ADRB3 (0.52) ADRB1ADRB3ADRB2CASR
SCHEMBL6435843 0.89 ADRB1 (0.43) ADRB1ADRB3ADRB2CASR
SCHEMBL6433760 0.89 ADRB1 (0.38) ADRB1ADRB3ADRB2
SCHEMBL6433763 0.89 ADRB1 (0.38) ADRB1ADRB3ADRB2
SCHEMBL6435848 0.88 ADRB1 (0.45) ADRB1ADRB3ADRB2CASR
SCHEMBL6433728 0.88 ADRB1 (0.45) ADRB1ADRB3ADRB2CASR
SCHEMBL6433735 0.88 ADRB1 (0.45) ADRB1ADRB3ADRB2CASR
SCHEMBL6438415 0.87 ADRB2 (0.45) 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 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