SCHEMBL7592014

SCHEMBL7592014

CCCC[C@H](N)C(=O)N[C@H]([C]=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.46
KCNH2 Q12809 2/20 0.46
PNMT P11086 1/20 0.42
DPP7 Q9UHL4 4/20 0.40
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CTSH P09668 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSK P43235 1/20 0.40
CTSS P25774 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
CHEK1 O14757 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SLC15A1 P46059 1/20 0.37

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
SCHEMBL7204090 0.85 CTSC (0.46) CTSCDPP7DPP4DPP8DPP9
SCHEMBL7586126 0.84 CTSC (0.44) CTSCKCNH2DPP7DPP4DPP8
SCHEMBL7592055 0.79 NPY1R (0.49) CTSCERAP2LNPEP
SCHEMBL9828439 0.78 CTSC (0.57) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL2182387 0.76 DPP7 (0.57) DPP7DPP4DPP8DPP9CHEK1
SCHEMBL7588339 0.74 MMP2 (0.43) CTSCDPP7DPP4DPP8DPP9
SCHEMBL13664812 0.73 CHEK1 (0.62) CYP3A4SPHK1CHEK1ERAP2LNPEP
SCHEMBL7591254 0.73 HDAC8 (0.41) CTSCDPP7DPP8DPP9
SCHEMBL2182283 0.72 CTSC (0.60) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL27212676 0.72 KCNH2 (0.68) KCNH2DPP7SPHK1

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
WO-2002100885-A2 A PENTA- OR TETRAPEPTIDE BINDING TO SOMATOSTATIN RECEPTORS AND THE USE OF THE SAME NOVASPIN BIOTECH GMBH (DE) 2002-12-19 WO disclosed