SCHEMBL30576704

SCHEMBL30576704

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.68
▸ OPRD1 P41143 2/20 0.68
▸ GHSR Q92847 1/20 0.56
▸ ERAP2 Q6P179 5/20 0.55
▸ KISS1R Q969F8 3/20 0.55
▸ NPBWR1 P48145 8/20 0.55
▸ IL1RN P18510 4/20 0.55
▸ ERAP1 Q9NZ08 4/20 0.55

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
SCHEMBL30576711 1.00 OPRM1 (0.68) OPRM1OPRD1GHSRERAP2KISS1R
Trifluoroacetic Acid SCHEMBL30576699 0.96 OPRD1 (0.64) OPRM1OPRD1GHSRERAP2KISS1R
SCHEMBL29376430 0.96 OPRM1 (0.61) OPRM1OPRD1ERAP2NPBWR1IL1RN
SCHEMBL31228839 0.93 OPRM1 (0.70) OPRM1OPRD1ERAP2KISS1RNPBWR1
SCHEMBL30307309 0.92 OPRM1 (0.62) OPRM1OPRD1ERAP2NPBWR1IL1RN
SCHEMBL29872607 0.90 OPRM1 (0.62) OPRM1OPRD1ERAP2
SCHEMBL29794167 0.90 OPRM1 (0.62) OPRM1OPRD1ERAP2
SCHEMBL30052459 0.90 ECE1 (0.61) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30169323 0.88 OPRM1 (0.62) OPRM1OPRD1GHSR
SCHEMBL30051166 0.88 OPRM1 (0.64) OPRM1OPRD1GHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171671-A1 METHOD FOR PRODUCING CYCLIC AMIDE 国立大学法人東海国立大学機構 2023-09-14 — — WO disclosed
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