SCHEMBL29630585

SCHEMBL29630585

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
F2 P00734 1/20 0.55
OPRM1 P35372 4/20 0.53
OPRD1 P41143 3/20 0.53
OPRK1 P41145 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL29590460 0.93 F2 (0.56) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL29630540 0.93 SLC6A2 (0.58) SLC6A2OPRM1OPRD1
SCHEMBL29878521 0.90 OPRM1 (0.56) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL31462032 0.90 OPRM1 (0.61) F2OPRM1OPRD1OPRK1POLB
SCHEMBL29679668 0.89 SLC6A2 (0.61) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL29456373 0.88 OPRM1 (0.64) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL29579280 0.87 F2 (0.56) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL31316619 0.87 F2 (0.53) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL30005604 0.87 F2 (0.59) F2OPRM1OPRD1OPRK1
SCHEMBL29664244 0.87 OPRM1 (0.57) F2OPRM1OPRD1OPRK1POLB

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