SCHEMBL8697353

SCHEMBL8697353

C[C@H](Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(NS(C)(=O)=O)cc1)NC[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.54
ADRB1 P08588 14/20 0.54
ADRB2 P07550 13/20 0.51
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC2A1 P11166 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL8697349 1.00 ADRB3 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697346 1.00 ADRB3 (0.54) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8791788 0.95 ADRB3 (0.52) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8791348 0.93 ADRB2 (0.49) ADRB3ADRB1ADRB2
SCHEMBL9037652 0.92 ADRB2 (0.48) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL9038233 0.91 ADRB3 (0.51) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8793347 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700162 0.91 ADRB3 (0.55) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697010 0.91 ADRB3 (0.55) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700159 0.91 ADRB3 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US claimed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP claimed
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed
US-5627200-A β3 -Adrenoceptor agonists and antagonists for the treatment of intestinal motility disorders, depression, prostate disease and dyslipidemia PFIZER INC (US) 1997-05-06 US disclosed
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