SCHEMBL29630704

SCHEMBL29630704

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.56
F2 P00734 1/20 0.52
OPRD1 P41143 4/20 0.48
ACE P12821 3/20 0.46
GRB2 P62993 1/20 0.46
NTSR2 O95665 3/20 0.45
NTSR1 P30989 3/20 0.45
SORT1 Q99523 3/20 0.45
NTMT1 Q9BV86 1/20 0.44
DPP4 P27487 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL29726629 0.97 F2 (0.55) OPRM1F2OPRD1ACEGRB2
Bromide SCHEMBL8603293 0.96 F2 (0.54) OPRM1F2OPRD1ACEGRB2
SCHEMBL32681276 0.93 OPRM1 (0.58) OPRM1F2ACEGRB2NTSR2
SCHEMBL29750444 0.92 F2 (0.54) OPRM1F2OPRD1ACEGRB2
SCHEMBL30892637 0.92 OPRM1 (0.54) OPRM1F2OPRD1ACEGRB2
SCHEMBL31519056 0.91 F2 (0.58) OPRM1F2ACEGRB2NTSR2
SCHEMBL29752677 0.91 OPRM1 (0.60) OPRM1F2ACENTSR2NTSR1
SCHEMBL29881564 0.90 OPRM1 (0.59) OPRM1F2OPRD1ACEGRB2
SCHEMBL30580544 0.90 CAPN1 (0.48) OPRM1OPRD1
SCHEMBL30580545 0.90 CAPN1 (0.48) OPRM1OPRD1

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