SCHEMBL9270684

SCHEMBL9270684

CCOC(=O)Cc1ccc(NCCNC[C@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ADRB1 P08588 14/20 0.41
ADRB3 P13945 14/20 0.41
ADRB2 P07550 11/20 0.40
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9270681 1.00 MAPT (0.44) MAPTADRB1ADRB3ADRB2LMNA
SCHEMBL9273139 0.90 ADRB2 (0.43) MAPTADRB1ADRB3ADRB2LMNA
SCHEMBL9273143 0.90 ADRB2 (0.43) MAPTADRB1ADRB3ADRB2LMNA
SCHEMBL9272074 0.80 ADRB2 (0.54) ADRB1ADRB3ADRB2
SCHEMBL9274013 0.78 ADRB2 (0.46) ADRB1ADRB3ADRB2
SCHEMBL9274010 0.78 ADRB2 (0.46) ADRB1ADRB3ADRB2
SCHEMBL7708906 0.78 ADRB3 (0.39) ADRB1ADRB3ADRB2
SCHEMBL9274468 0.77 ADRB2 (0.39) MAPTADRB1ADRB3ADRB2LMNA
SCHEMBL9272078 0.77 MAOB (0.38) MAPTADRB3ADRB2LMNASMN1; SMN2
SCHEMBL9274464 0.77 ADRB2 (0.39) MAPTADRB1ADRB3ADRB2LMNA

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