SCHEMBL9684047

SCHEMBL9684047

COC(=O)C=C(C)c1ccc(C[C@@H](C)NCC(O)COc2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.44
ADRB1 P08588 7/20 0.44
ADRB2 P07550 5/20 0.44
CASR P41180 1/20 0.44
HPGD P15428 1/20 0.42
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
ABCB1 P08183 2/20 0.38

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
SCHEMBL9684044 1.00 ADRB3 (0.44) ADRB3ADRB1ADRB2CASRHPGD
SCHEMBL9684051 1.00 ADRB3 (0.44) ADRB3ADRB1ADRB2CASRHPGD
SCHEMBL9684306 0.86 ADRB3 (0.56) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL9684313 0.86 ADRB3 (0.56) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL9684207 0.82 ADRB3 (0.53) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL9683356 0.78 ADRB3 (0.58) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL9683364 0.78 ADRB3 (0.58) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL11174016 0.78 ADRB3 (0.66) ADRB3ADRB1ADRB2CYP1A2CYP2D6
SCHEMBL11174014 0.78 ADRB3 (0.66) ADRB3ADRB1ADRB2CYP1A2CYP2D6
SCHEMBL9782259 0.74 ADRB3 (0.45) ADRB3ADRB1ADRB2CYP1A2CYP2D6

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
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed