SCHEMBL9373366

SCHEMBL9373366

C[C@H](N)C(=O)NCC(=O)NCC(=O)O.C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TERT O14746 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ GSTK1 Q9Y2Q3 1/20 0.32

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
SCHEMBL29590518 0.91 OPRD1 (0.36) OPRD1OPRM1OPRK1TERTPTGS1
SCHEMBL29429268 0.90 TERT (0.39) OPRD1OPRM1OPRK1TERT
SCHEMBL29592246 0.89 OPRM1 (0.39) OPRD1OPRM1OPRK1TERTCTSB
SCHEMBL29590336 0.89 OPRM1 (0.39) OPRD1OPRM1OPRK1TERTCTSB
SCHEMBL29453407 0.89 ALDH1A1 (0.34) OPRD1OPRM1OPRK1PTGS1GSTK1
SCHEMBL17293240 0.88 CTRB1 (0.37) NOD1
SCHEMBL3916119 0.88 CTRB1 (0.37) NOD1
SCHEMBL749822 0.88 CTRB1 (0.37) NOD1
SCHEMBL3810013 0.88 CTRB1 (0.37) NOD1
SCHEMBL29511173 0.88 CTRB1 (0.37) NOD1

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-0583479-A1 REMEDY FOR DERMATOPATHY AND METALLOTHIONEIN INDUCER OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-02-23 — — EP claimed
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