SCHEMBL8700182

SCHEMBL8700182

C[C@H](Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1)NC[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.60
ADRB1 P08588 9/20 0.60
ADRB2 P07550 10/20 0.58
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
SLC2A1 P11166 2/20 0.56
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CCR2 P41597 1/20 0.53
GLA P06280 1/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL8700180 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700177 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697364 0.95 ADRB3 (0.69) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697614 0.95 ADRB3 (0.69) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697358 0.95 ADRB3 (0.69) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697368 0.95 ADRB3 (0.69) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700469 0.94 ADRB3 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700463 0.94 ADRB3 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8697023 0.94 ADRB3 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8700467 0.94 ADRB3 (0.62) 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 6 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
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