SCHEMBL29630508

SCHEMBL29630508

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 1/20 0.45
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MME P08473 4/20 0.39
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL29599316 0.92 OPRM1 (0.51) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL30589223 0.88 OPRM1 (0.58) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL29576722 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL31130576 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL4082649 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1MME
SCHEMBL4082659 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1MME
SCHEMBL34464917 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1MMESLC7A5
SCHEMBL29526885 0.86 OPRM1 (0.47) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL30799042 0.82 OPRM1 (0.43) OPRM1OPRD1SLC7A5
SCHEMBL38663399 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1PDCD1LG2CD274

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