SCHEMBL31277053

SCHEMBL31277053

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.55
▸ TACR1 P25103 2/20 0.52
▸ PSMB9 P28065 1/20 0.52
▸ CMA1 P23946 3/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ ELANE P08246 1/20 0.50
▸ CTSG P08311 1/20 0.50
▸ ACE P12821 1/20 0.49

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
SCHEMBL2517659 0.95 SLC6A2 (0.53) SLC6A2TACR1PSMB9OPRM1OPRD1
SCHEMBL2517666 0.95 SLC6A2 (0.53) SLC6A2TACR1PSMB9OPRM1OPRD1
SCHEMBL1940130 0.92 SLC6A2 (0.51) SLC6A2PSMB9OPRM1OPRD1OPRK1
SCHEMBL29391626 0.92 CALCRL (0.53) SLC6A2TACR1PSMB9CMA1OPRM1
SCHEMBL30633420 0.90 SLC6A2 (0.62) SLC6A2PSMB9CMA1OPRM1OPRD1
SCHEMBL28522301 0.88 LNPEP (0.53) SLC6A2ELANECTSG
SCHEMBL28522299 0.88 LNPEP (0.53) SLC6A2ELANECTSG
SCHEMBL30050973 0.87 ITGB1 (0.57) SLC6A2TACR1ACE
SCHEMBL15270934 0.86 LNPEP (0.52) SLC6A2CMA1ELANECTSG
SCHEMBL15270931 0.86 LNPEP (0.52) SLC6A2CMA1ELANECTSG

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-2024211447-A1 TP508 MRNAS CHRYSALIS BIOTHERAPEUTICS (US) 2024-10-10 — — WO disclosed
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