SCHEMBL11240079

SCHEMBL11240079

CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)CCS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 4/20 0.52
▸ REN P00797 9/20 0.48
▸ APLNR P35414 1/20 0.47
▸ F2 P00734 2/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45

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
SCHEMBL11240100 1.00 PSMB9 (0.52) PSMB9RENAPLNRF2NTSR2
SCHEMBL11435645 0.95 PSMB9 (0.44) PSMB9RENAPLNRF2NTSR2
SCHEMBL11435639 0.95 PSMB9 (0.44) PSMB9RENAPLNRF2NTSR2
SCHEMBL29525618 0.87 REN (0.58) RENSLC6A2
SCHEMBL6516908 0.87 REN (0.58) RENSLC6A2
SCHEMBL11587393 0.87 CTRB1 (0.53) PSMB9RENNTSR2SLC6A2
SCHEMBL11347671 0.85 PSMB9 (0.39) PSMB9RENAPLNRF2
SCHEMBL11435651 0.85 CTRB1 (0.52) PSMB9REN
SCHEMBL11435644 0.85 CTRB1 (0.52) PSMB9REN
SCHEMBL31070826 0.85 REN (0.51) PSMB9RENAPLNRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 — — US disclosed
US-4283328-A TREATING AN N-BLOCKED AMINO ACID RESIDUE WITH A TETRAMETHYL GUANIDINIUM SALT OF A PEPTIDE CHAIN RESEARCH CORPORATION (US) 1981-08-11 — — US disclosed
US-4261884-A DESIRABLE BIOLOGICAL PROPERTIES AND STABILITY TO ENZYME CLEAVAGE RESEARCH CORPORATION (US) 1981-04-14 — — US disclosed
EP-0010830-A2 Dehydropeptides Research Corporation (US) 1980-05-14 — — EP disclosed
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