SCHEMBL6436877

SCHEMBL6436877

CC(C)(C)OC(=O)N(CCNc1cccc(-c2cccc(C#N)c2)c1)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.40
ADRB2 P07550 6/20 0.37
ADRB1 P08588 6/20 0.37
ADRB3 P13945 6/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL6436884 1.00 MCHR1 (0.40) MCHR1ADRB2ADRB1ADRB3JAK2
SCHEMBL6432465 0.87 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6432460 0.87 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6436830 0.86 ADRB1 (0.42) ADRB2ADRB1ADRB3
SCHEMBL6433735 0.84 ADRB1 (0.45) ADRB2ADRB1ADRB3
SCHEMBL6433728 0.84 ADRB1 (0.45) ADRB2ADRB1ADRB3
SCHEMBL6436834 0.84 ADRB1 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6438415 0.83 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL6438418 0.83 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL6435843 0.82 ADRB1 (0.43) ADRB2ADRB1ADRB3

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