SCHEMBL4018243

SCHEMBL4018243

C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.66
CTSK P43235 6/20 0.66
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
OPRD1 P41143 9/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 1/20 0.53
CCKBR P32239 3/20 0.51
CCKAR P32238 3/20 0.51
PTPN1 P18031 1/20 0.48
AKT1 P31749 1/20 0.48

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
SCHEMBL4018237 1.00 CTSS (0.66) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11683746 1.00 CTSS (0.66) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL31181953 0.92 CTSS (0.77) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL11345783 0.91 CTSS (0.63) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL19944788 0.89 CTSS (0.64) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11122782 0.89 CTSS (0.69) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL11365513 0.88 CTSS (0.68) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL9819589 0.88 CTSS (0.59) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11124222 0.88 CTSS (0.71) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL29670127 0.88 CTSS (0.51) CTSSCTSKCTSBCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093918-A1 A METHOD OF PRODUCING AN N-BLOCKED BIPHALIN INTERMEDIATE INSTYTUT MEDYCYNY DOSWIADCZALNEJ I KLINICZNEJ IM. (PL) 2009-07-30 WO disclosed
US-4593098-A Piperazinone and piperazine polypeptides THE UPJOHN COMPANY (US) 1986-06-03 US disclosed
US-4534897-A Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds THE UPJOHN COMPANY (US) 1985-08-13 US disclosed
EP-0033504-B1 PENTAPEPTIDES OF THE ENCEPHALINE TYPE, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE Richter Gedeon Vegyészeti Gyár R.T. (HU) 1984-10-24 EP disclosed
EP-0030846-B1 PHARMACOLOGICALLY ACTIVE PEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-09 EP disclosed
US-4339440-A HYPOTENSIVES RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1982-07-13 US disclosed
EP-0001684-B1 TETRAPEPTIDES, METHODS FOR THEIR PREPARATION AND THEIR USE IN ANALGESIC COMPOSITIONS ELI LILLY AND COMPANY (US) 1981-09-02 EP disclosed
EP-0033504-A2 Pentapeptides of the encephaline type, process for their preparation and medicaments containing these Richter Gedeon Vegyészeti Gyár R.T. (HU) 1981-08-12 EP disclosed
EP-0030846-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
US-4273704-A N-Adamantane-substituted tetrapeptide amides G. D. SEARLE & CO. (US) 1981-06-16 US disclosed
US-4251438-A ANALGESICS, PSYCHOTHERAPEUTIC AGENTS THE UPJOHN COMPANY (US) 1981-02-17 US disclosed
EP-0001684-A2 Tetrapeptides, methods for their preparation and their use in analgesic compositions ELI LILLY AND COMPANY (US) 1979-05-02 EP disclosed