SCHEMBL30193614

SCHEMBL30193614

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.56
▸ OPRM1 P35372 6/20 0.56
▸ CTSB P07858 1/20 0.51
▸ QRFPR Q96P65 2/20 0.51
▸ CTSD P07339 1/20 0.49
▸ OPRK1 P41145 2/20 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
SCHEMBL30051626 0.89 CTSD (0.57) CTSBCTSD
SCHEMBL30617075 0.86 CTSB (0.59) OPRD1OPRM1CTSBOPRK1
SCHEMBL29904037 0.85 OPRD1 (0.56) OPRD1OPRM1CTSBQRFPROPRK1
SCHEMBL29478036 0.84 NMT1 (0.43) OPRD1OPRM1CTSBQRFPR
SCHEMBL31388294 0.83 OPRD1 (0.57) OPRD1OPRM1CTSBOPRK1
SCHEMBL30997458 0.83 QRFPR (0.54) OPRD1OPRM1QRFPROPRK1
SCHEMBL2520131 0.83 CTSD (0.59) CTSBCTSD
SCHEMBL29867736 0.83 QRFPR (0.53) OPRD1OPRM1CTSBQRFPR
SCHEMBL2520136 0.83 CTSD (0.59) CTSBCTSD
SCHEMBL29789562 0.83 OPRD1 (0.53) OPRD1OPRM1CTSBOPRK1

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
EP-4121130-A1 LIQUID EMBOLICS MicroVention, Inc. (US) 2023-01-25 — — EP disclosed
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