SCHEMBL29455241

SCHEMBL29455241

N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.55
▸ OPRM1 P35372 7/20 0.55
▸ OPRK1 P41145 3/20 0.55
▸ CCKAR P32238 3/20 0.50
▸ CCKBR P32239 3/20 0.50
▸ MME P08473 2/20 0.50

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
SCHEMBL31438258 0.98 OPRD1 (0.56) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30436782 0.97 OPRD1 (0.57) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29630677 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29789590 0.92 OPRD1 (0.63) OPRD1OPRM1OPRK1MME
SCHEMBL31274581 0.91 OPRD1 (0.59) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29630643 0.89 OPRM1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL3227106 0.89 OPRD1 (0.60) OPRD1OPRM1OPRK1MME
SCHEMBL3227119 0.89 OPRD1 (0.60) OPRD1OPRM1OPRK1MME
SCHEMBL29596286 0.89 MME (0.58) MME
SCHEMBL29590434 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12372526-B2 Method for identifying modulators of G3BP activity ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2025-07-29 — — US disclosed
US-20220091120-A1 METHOD FOR IDENTIFYING MODULATORS OF G3BP ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-03-24 — — US disclosed
Send feedback