SCHEMBL13006263

SCHEMBL13006263

COC(=O)[C@H](C(C)C)N(C)C(=O)c1ccc(-c2ccc(N)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ATR Q13535 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PDK2 Q15119 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
ADRB3 P13945 1/20 0.34
CYP3A4 P08684 1/20 0.34
USP28 Q96RU2 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL1761371 0.81 PHLPP2 (0.38) MAOAADRB3CYP3A4MMP2MMP13
SCHEMBL1761565 0.76 TAS1R3 (0.45) USP28MMP2MMP13HDAC8MMP1
SCHEMBL1761427 0.74 GAA (0.54) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL2296905 0.73 SMN1; SMN2 (0.46)
SCHEMBL2296907 0.73 SMN1; SMN2 (0.46)
SCHEMBL1756304 0.72 HSD17B1 (0.41) CYP3A4MMP2MMP9ALDH1A1GAA
SCHEMBL23298050 0.69 MAPK1 (0.34) PDK2PIK3CA
SCHEMBL3620444 0.69 ADAMTS4 (0.58) MTORMMP2MMP13MMP16ADAM17
SCHEMBL3613169 0.69 ADAMTS4 (0.58) MTORMMP2MMP13MMP16ADAM17
SCHEMBL23298049 0.69 MAPK1 (0.34) PDK2PIK3CA

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-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed