SCHEMBL8792124

SCHEMBL8792124

CC(Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(NCS(C)(=O)=O)cc1)NCC(O)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.47
ADRB1 P08588 14/20 0.42
ADRB3 P13945 14/20 0.42
SERPINE1 P05121 1/20 0.41
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 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
SCHEMBL8791901 0.94 ADRB2 (0.46) ADRB2ADRB1ADRB3SERPINE1ADRA1D
SCHEMBL8791244 0.92 ADRB2 (0.48) ADRB2ADRB1ADRB3SERPINE1CCR2
SCHEMBL8793347 0.92 ADRB3 (0.52) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL8791814 0.91 ADRB2 (0.45) ADRB2ADRB1ADRB3SERPINE1ADRA1D
SCHEMBL9037652 0.91 ADRB2 (0.48) ADRB2ADRB1ADRB3SERPINE1ADRA1D
SCHEMBL8791979 0.91 ADRB2 (0.45) ADRB2ADRB1ADRB3SERPINE1ADRA1D
SCHEMBL8791273 0.89 ADRB2 (0.46) ADRB2ADRB1ADRB3SERPINE1CCR2
SCHEMBL8792055 0.87 ADRB2 (0.47) ADRB2ADRB1ADRB3SERPINE1CCR2
SCHEMBL8792057 0.87 ADRB2 (0.47) ADRB2ADRB1ADRB3SERPINE1CCR2
SCHEMBL8791999 0.87 ADRB2 (0.48) ADRB2ADRB1ADRB3SERPINE1CCR2

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
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed