SCHEMBL29376430

SCHEMBL29376430

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.61
▸ OPRD1 P41143 2/20 0.61
▸ ERAP2 Q6P179 8/20 0.59
▸ ECE1 P42892 5/20 0.57
▸ NPBWR1 P48145 1/20 0.57
▸ IL1RN P18510 8/20 0.54
▸ ERAP1 Q9NZ08 4/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP1 P03956 1/20 0.54

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
SCHEMBL30307309 0.96 OPRM1 (0.62) OPRM1OPRD1ERAP2ECE1NPBWR1
SCHEMBL30576711 0.96 OPRM1 (0.68) OPRM1OPRD1ERAP2NPBWR1IL1RN
SCHEMBL30576704 0.96 OPRM1 (0.68) OPRM1OPRD1ERAP2NPBWR1IL1RN
SCHEMBL30052459 0.94 ECE1 (0.61) OPRM1OPRD1ERAP2ECE1IL1RN
SCHEMBL29794167 0.93 OPRM1 (0.62) OPRM1OPRD1ERAP2ECE1MMP2
SCHEMBL29872607 0.93 OPRM1 (0.62) OPRM1OPRD1ERAP2ECE1MMP2
SCHEMBL9868659 0.92 OPRM1 (0.66) OPRM1OPRD1ECE1
SCHEMBL29391520 0.92 OPRM1 (0.66) OPRM1OPRD1ECE1
Trifluoroacetic Acid SCHEMBL30576699 0.92 OPRD1 (0.64) OPRM1OPRD1ERAP2NPBWR1IL1RN
SCHEMBL30538857 0.91 ECE1 (0.57) OPRM1OPRD1ERAP2ECE1NPBWR1

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-11851468-B2 Treatment of neurological diseases UNIVERSITY OF LANCASTER (GB) 2023-12-26 — — US disclosed
US-20220033457-A1 TREATMENT OF NEUROLOGICAL DISEASES UNIVERSITY OF LANCASTER (GB) 2022-02-03 — — US disclosed
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