SCHEMBL30693080

SCHEMBL30693080

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.56
▸ OPRD1 P41143 3/20 0.56
▸ REN P00797 2/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ OPRK1 P41145 1/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ PSMB9 P28065 2/20 0.52

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
SCHEMBL29576026 0.91 SLC6A2 (0.60) OPRM1OPRD1RENSLC6A2OPRK1
SCHEMBL31553199 0.88 SLC6A2 (0.60) OPRM1OPRD1SLC6A2OPRK1PSMB9
SCHEMBL31325182 0.87 OPRM1 (0.65) OPRM1OPRD1SLC6A2
SCHEMBL29368042 0.87 OPRM1 (0.56) OPRM1OPRD1RENSLC6A2OPRK1
SCHEMBL31588354 0.87 OPRM1 (0.61) OPRM1OPRK1NTSR2NTSR1
SCHEMBL29630391 0.86 ACE (0.55) OPRM1OPRD1OPRK1
SCHEMBL3221767 0.86 OPRK1 (0.59) OPRM1OPRK1NTSR2NTSR1
SCHEMBL3221787 0.86 OPRK1 (0.59) OPRM1OPRK1NTSR2NTSR1
SCHEMBL10302843 0.85 SLC6A2 (0.60) OPRM1OPRD1SLC6A2OPRK1PSMB9
SCHEMBL31377445 0.85 SLC6A2 (0.60) OPRM1OPRD1RENSLC6A2OPRK1

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
US-11782056-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2023-10-10 — — US disclosed
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