SCHEMBL29630425

SCHEMBL29630425

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.55
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 3/20 0.55
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ LAP3 P28838 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.42

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
SCHEMBL7553789 0.91 MAPT (0.53) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL7150981 0.91 MAPT (0.53) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL30661448 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL30661446 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL30483773 0.89 FOLH1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL30563224 0.87 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL29989920 0.86 OPRD1 (0.48) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL30739544 0.86 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL31182817 0.85 OPRD1 (0.46) OPRD1OPRM1OPRK1MAPTALDH1A1
SCHEMBL9551443 0.85 ALDH1A1 (0.53) OPRD1OPRM1OPRK1MAPTALDH1A1

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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