SCHEMBL7591254

SCHEMBL7591254

NCCCC[C@H](N)C(=O)N[C@H]([C]=O)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.41
MMP2 P08253 2/20 0.40
MME P08473 1/20 0.40
CTSC P53634 1/20 0.39
TERT O14746 5/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 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
SCHEMBL7586126 0.89 CTSC (0.44) HDAC8CTSCDPP8DPP9DPP7
SCHEMBL7591965 0.87 MMP2 (0.47) HDAC8MMP2CTSCTERTDPP8
SCHEMBL7588339 0.78 MMP2 (0.43) MMP2MMECTSCTERTDPP8
SCHEMBL7584570 0.78 MMP2 (0.47) MMP2CTSCTERTDPP8DPP9
SCHEMBL6380974 0.77 MMP2 (0.62) MMP2CTSC
SCHEMBL4672649 0.76 MMP2 (0.48) MMP2CTSC
SCHEMBL4672644 0.76 MMP2 (0.48) MMP2CTSC
SCHEMBL7751947 0.76 DPP7 (0.50) MMP2TERTDPP8DPP9DPP7
SCHEMBL7751944 0.76 DPP7 (0.50) MMP2TERTDPP8DPP9DPP7
SCHEMBL7592014 0.73 CTSC (0.46) CTSCDPP8DPP9DPP7

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