SCHEMBL29630760

SCHEMBL29630760

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
PGGT1B P53609 3/20 0.47
OPRD1 P41143 5/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46
NPY4R P50391 5/20 0.46
NPY1R P25929 4/20 0.46
NPY2R P49146 4/20 0.46
NPY5R Q15761 4/20 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
SCHEMBL29630522 0.94 OPRD1 (0.49) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL31512208 0.93 OPRD1 (0.51) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL29936749 0.93 NPY4R (0.56) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL29851083 0.92 NPY4R (0.52) FNTAFNTBPGGT1BNPY4RNPY1R
SCHEMBL29519223 0.92 NPY4R (0.55) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL30692724 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL30264901 0.91 FNTA (0.52) FNTAFNTBPGGT1BOPRD1OPRM1
SCHEMBL29494075 0.91 NPY4R (0.47) OPRD1OPRM1OPRK1NPY4RNPY1R
SCHEMBL31184390 0.91 NPY4R (0.54) FNTAFNTBPGGT1BNPY4RNPY1R
SCHEMBL31184580 0.91 NPY4R (0.54) FNTAFNTBPGGT1BNPY4RNPY1R

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