SCHEMBL9273139

SCHEMBL9273139

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.43
ADRB3 P13945 12/20 0.43
ADRB1 P08588 11/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL9273143 1.00 ADRB2 (0.43) ADRB2ADRB3ADRB1MAPTLMNA
SCHEMBL9270684 0.90 MAPT (0.44) ADRB2ADRB3ADRB1MAPTLMNA
SCHEMBL9270681 0.90 MAPT (0.44) ADRB2ADRB3ADRB1MAPTLMNA
SCHEMBL9272074 0.82 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL9274013 0.80 ADRB2 (0.46) ADRB2ADRB3ADRB1
SCHEMBL9274010 0.80 ADRB2 (0.46) ADRB2ADRB3ADRB1
SCHEMBL9274832 0.78 ADRB2 (0.43) ADRB2ADRB3ADRB1
SCHEMBL9272078 0.75 MAOB (0.38) ADRB2ADRB3MAPTLMNASMN1; SMN2
SCHEMBL9274468 0.75 ADRB2 (0.39) ADRB2ADRB3ADRB1MAPTLMNA
SCHEMBL9274464 0.75 ADRB2 (0.39) ADRB2ADRB3ADRB1MAPTLMNA

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