SCHEMBL5158316

SCHEMBL5158316

COc1ccc([C@@H](Nc2ccc(CN)cc2)C(CC[C@H](O)c2ccc(F)cc2)C(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.47
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLK7 P49862 1/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4000734 1.00 NPY5R (0.47) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764904 1.00 NPY5R (0.47) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764876 0.92 NPY5R (0.46) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764898 0.88 NPY5R (0.42) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764899 0.88 NPY5R (0.42) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL4000662 0.87 NPY5R (0.41) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL4005280 0.85 NPY5R (0.40) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764897 0.84 NPY5R (0.39) NPY5RKMT2ALMNAMEN1HTT
SCHEMBL13764883 0.84 LMNA (0.45) KMT2ALMNAMEN1HTTCYP1A2
SCHEMBL3997472 0.84 LMNA (0.45) KMT2ALMNAMEN1HTTCYP1A2

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-1753717-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005113495-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 WO disclosed