SCHEMBL29630516

SCHEMBL29630516

NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.52
▸ OPRM1 P35372 10/20 0.52
▸ OPRK1 P41145 3/20 0.52
▸ CD40 P25942 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ ENPEP Q07075 2/20 0.47
▸ APC P25054 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
SCHEMBL29590483 0.91 OPRD1 (0.51) OPRD1OPRM1OPRK1CD40NAALAD2
SCHEMBL30886462 0.91 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL31575746 0.91 NAALAD2 (0.54) OPRM1NAALAD2ENPEP
SCHEMBL31083820 0.91 NAALAD2 (0.54) OPRM1NAALAD2ENPEP
SCHEMBL31257041 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL31257056 0.89 OPRD1 (0.54) OPRD1OPRM1OPRK1CD40APC
SCHEMBL29630551 0.89 NAALAD2 (0.50) OPRD1OPRM1OPRK1CD40NAALAD2
SCHEMBL29591849 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1NAALAD2
SCHEMBL31642849 0.87 OPRD1 (0.54) OPRD1OPRM1OPRK1CD40NAALAD2
SCHEMBL29470180 0.87 OPRD1 (0.58) OPRD1OPRM1OPRK1

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
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