SCHEMBL7296207

SCHEMBL7296207

CCN(CC)C(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
HTR2A P28223 10/20 0.37
CYP3A4 P08684 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7287579 0.85 PPARA (0.45) PPARAPSMB8MEN1KMT2ATACR1
SCHEMBL7312186 0.85 PPARA (0.42) PPARAPSMB8KMT2ATACR1
SCHEMBL7288366 0.84 PPARA (0.38) PPARAKDM4EMEN1KMT2AALDH1A1
SCHEMBL7273333 0.84 CASP1 (0.40) PPARAPSMB5HTR2ACYP3A4KDM4E
SCHEMBL7273339 0.84 CASP1 (0.40) PPARAPSMB5HTR2ACYP3A4KDM4E
SCHEMBL7287672 0.84 PPARA (0.39) PPARAKDM4EMEN1KMT2ACHRM1
SCHEMBL7291357 0.83 PPARA (0.38) PPARACYP3A4KDM4EMEN1KMT2A
SCHEMBL7292195 0.83 KMT2A (0.39) PPARAMEN1KMT2ANAAAPOLB
SCHEMBL7273664 0.83 DPP4 (0.40) PPARAKDM4EMEN1KMT2AALDH1A1
SCHEMBL7273674 0.83 DPP4 (0.40) PPARAKDM4EMEN1KMT2AALDH1A1

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
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed