SCHEMBL29630355

SCHEMBL29630355

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 8/20 0.47
▸ CHRNA1 P02708 4/20 0.47
▸ CHRNG P07510 4/20 0.47
▸ CHRNB1 P11230 4/20 0.47
▸ OPRD1 P41143 6/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ GRIA1 P42261 3/20 0.45
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL29592620 0.96 OPRD1 (0.48) CHRNDCHRNA1CHRNGCHRNB1OPRD1
SCHEMBL29630352 0.91 MME (0.48) CHRNDCHRNA1CHRNGCHRNB1PTPN1
SCHEMBL7586744 0.91 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1OPRD1
SCHEMBL3952781 0.91 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1OPRD1
SCHEMBL29707530 0.89 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL30468670 0.89 CHRND (0.47) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL31198202 0.87 MEN1 (0.52) CHRNDCHRNA1CHRNGCHRNB1PTPN2
SCHEMBL5177691 0.86 CHRND (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL25627167 0.85 PTPN1 (0.56) CHRNDCHRNA1CHRNGCHRNB1PTPN2
SCHEMBL29630576 0.85 OPRD1 (0.55) CHRNDCHRNA1CHRNGCHRNB1OPRD1

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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