SCHEMBL9274010

SCHEMBL9274010

COC(=O)Cc1ccc(NCC(NCC(O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.46
ADRB3 P13945 20/20 0.46
ADRB1 P08588 19/20 0.46
GLA P06280 1/20 0.39

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
SCHEMBL9274013 1.00 ADRB2 (0.46) ADRB2ADRB3ADRB1GLA
SCHEMBL9274464 0.83 ADRB2 (0.39) ADRB2ADRB3ADRB1GLA
SCHEMBL9274468 0.83 ADRB2 (0.39) ADRB2ADRB3ADRB1GLA
SCHEMBL8405933 0.82 ADRB2 (0.51) ADRB2ADRB3ADRB1GLA
SCHEMBL9273143 0.80 ADRB2 (0.43) ADRB2ADRB3ADRB1
SCHEMBL9273139 0.80 ADRB2 (0.43) ADRB2ADRB3ADRB1
SCHEMBL9270681 0.78 MAPT (0.44) ADRB2ADRB3ADRB1
SCHEMBL9270684 0.78 MAPT (0.44) ADRB2ADRB3ADRB1
SCHEMBL8586761 0.78 ADRB3 (0.41) ADRB2ADRB3ADRB1
SCHEMBL8586756 0.78 ADRB3 (0.41) ADRB2ADRB3ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 WO disclosed