SCHEMBL3357272

SCHEMBL3357272

NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.42
▸ CD40 P25942 3/20 0.39
▸ TERT O14746 1/20 0.39
▸ C5AR1 P21730 2/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ PSMB1 P20618 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB9 P28065 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB10 P40306 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 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
SCHEMBL3357251 1.00 SLC15A2 (0.42) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL6116135 0.99 SLC15A2 (0.41) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL6116125 0.99 SLC15A2 (0.41) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL29484171 0.96 SLC15A2 (0.41) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL8427968 0.93 MMP2 (0.39) SLC15A2CD40TERTMMP2PSMB1
SCHEMBL9200315 0.93 MMP2 (0.39) SLC15A2CD40TERTMMP2PSMB1
SCHEMBL9616877 0.93 MMP2 (0.39) SLC15A2CD40TERTMMP2PSMB1
SCHEMBL4958843 0.91 SLC15A2 (0.50) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL4958851 0.91 SLC15A2 (0.50) SLC15A2CD40TERTC5AR1MMP2
SCHEMBL9180130 0.91 SLC15A2 (0.52) SLC15A2CALCRLPSMB1PSMB8PSMB9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022762-A1 Agent for Eliminating Multidrug Resistance LEBEDEV VASILIY V (RU) 2016-01-28 — — US claimed
US-20120129792-A1 AGENT FOR ELIMINATING MULTIDRUG RESISTANCE LEBEDEV VASILIY VYACHESLAVOVICH (RU) 2012-05-24 — — US claimed
US-20160022762-A1 Agent for Eliminating Multidrug Resistance LEBEDEV VASILIY V (RU) 2016-01-28 — — US disclosed
US-20160022762-A1 Agent for Eliminating Multidrug Resistance LEBEDEV VASILIY V (RU) 2016-01-28 — — US disclosed
US-20120129792-A1 AGENT FOR ELIMINATING MULTIDRUG RESISTANCE LEBEDEV VASILIY VYACHESLAVOVICH (RU) 2012-05-24 — — US disclosed
US-20120129792-A1 AGENT FOR ELIMINATING MULTIDRUG RESISTANCE LEBEDEV VASILIY VYACHESLAVOVICH (RU) 2012-05-24 — — US disclosed
WO-2010062217-A1 AGENT FOR ELIMINATING MULTIDRUG RESISTANCE LEBEDEV VASILIY VYACHESLAVOVIC (RU) 2010-06-03 — — WO disclosed
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