SCHEMBL9037652

SCHEMBL9037652

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.48
SERPINE1 P05121 1/20 0.44
ADRB3 P13945 10/20 0.43
ADRB1 P08588 9/20 0.43
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8792057 0.95 ADRB2 (0.47) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8792055 0.95 ADRB2 (0.47) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8791348 0.92 ADRB2 (0.49) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8697353 0.92 ADRB3 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL8697346 0.92 ADRB3 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL8697349 0.92 ADRB3 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL8791657 0.91 ADRB2 (0.46) ADRB2SERPINE1ADRB3ADRB1ADRA1D
SCHEMBL8792124 0.91 ADRB2 (0.47) ADRB2SERPINE1ADRB3ADRB1ADRA1D
SCHEMBL8793420 0.89 ADRB2 (0.46) ADRB2SERPINE1ADRB3ADRB1ADRA1D
SCHEMBL8792361 0.88 ADRB2 (0.50) ADRB2SERPINE1ADRB3ADRB1ADRA1D

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