SCHEMBL29630662

SCHEMBL29630662

C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.58
▸ OPRD1 P41143 12/20 0.56
▸ OPRM1 P35372 8/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ APC P25054 3/20 0.49
▸ ENPEP Q07075 1/20 0.46

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
SCHEMBL29816684 0.96 NAALAD2 (0.54) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL29540311 0.88 NAALAD2 (0.59) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL1374034 0.88 NAALAD2 (0.52) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL1370956 0.88 NAALAD2 (0.52) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL30898605 0.88 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL31615028 0.87 NAALAD2 (0.65) NAALAD2ENPEP
SCHEMBL29379340 0.86 NAALAD2 (0.59) NAALAD2OPRD1OPRM1OPRK1APC
SCHEMBL29630619 0.86 NAALAD2 (0.61) NAALAD2OPRD1OPRM1OPRK1ENPEP
SCHEMBL30483407 0.86 NAALAD2 (0.60) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL31610861 0.86 NAALAD2 (0.67) NAALAD2ENPEP

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
Send feedback