SCHEMBL9038233

SCHEMBL9038233

CC(Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.51
ADRB1 P08588 16/20 0.51
ADRB2 P07550 14/20 0.48
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC2A1 P11166 1/20 0.47

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
SCHEMBL8791893 0.96 ADRB3 (0.49) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8792006 0.93 ADRB2 (0.47) ADRB3ADRB1ADRB2
SCHEMBL8791657 0.92 ADRB2 (0.46) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8791915 0.92 ADRB2 (0.46) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697353 0.91 ADRB3 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697346 0.91 ADRB3 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697349 0.91 ADRB3 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8793375 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8792490 0.89 ADRB2 (0.48) ADRB3ADRB1ADRB2
SCHEMBL8793207 0.88 ADRB3 (0.49) ADRB3ADRB1ADRB2ADRA1DADRA1A

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
EP-0703911-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029290-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER INC. (US) 1994-12-22 WO disclosed