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SCHEMBL10873455

SCHEMBL10873455

CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(C(=O)O)C(C)O)C(C)O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.48
▸ OPRD1 P41143 5/20 0.48
▸ BACE1 P56817 5/20 0.44
▸ CTSD P07339 3/20 0.44
▸ OPRK1 P41145 1/20 0.42
▸ PDCD1LG2 Q9BQ51 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ IL23R Q5VWK5 2/20 0.39
▸ KISS1R Q969F8 3/20 0.38

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
SCHEMBL10873463 1.00 OPRM1 (0.48) OPRM1OPRD1BACE1CTSDOPRK1
SCHEMBL31458780 0.87 OPRM1 (0.46) OPRM1OPRD1BACE1CTSDOPRK1
SCHEMBL30272501 0.86 PDCD1LG2 (0.53) BACE1CTSDPDCD1LG2CD274
SCHEMBL31256786 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1IL23R
SCHEMBL29585584 0.83 PDCD1LG2 (0.48) BACE1CTSDPDCD1LG2CD274
SCHEMBL29735969 0.83 OPRM1 (0.39) OPRM1OPRD1BACE1CTSDOPRK1
SCHEMBL31614420 0.83 BACE1 (0.46) BACE1CTSD
SCHEMBL31195722 0.82 OPRM1 (0.50) OPRM1OPRD1BACE1CTSDOPRK1
SCHEMBL29645141 0.82 FNTA (0.49) OPRM1OPRD1BACE1CTSDOPRK1
SCHEMBL31124670 0.81 BACE1 (0.53) OPRM1OPRD1BACE1CTSD

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
EP-0196921-A2 Recombinant human renin CALIFORNIA BIOTECHNOLOGY INC.(a Delaware corporation) (US) 1986-10-08 — — EP disclosed
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