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SCHEMBL30997458

SCHEMBL30997458

NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 3/20 0.54
▸ OPRD1 P41143 7/20 0.48
▸ OPRM1 P35372 6/20 0.48
▸ MME P08473 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL16983210 0.91 MMP2 (0.56) MMEMMP2ITGB3ITGA2B
SCHEMBL2032501 0.91 MMP2 (0.56) MMEMMP2ITGB3ITGA2B
SCHEMBL2032499 0.91 MMP2 (0.56) MMEMMP2ITGB3ITGA2B
SCHEMBL30439797 0.90 OPRD1 (0.52) OPRD1OPRM1MMEITGB3ITGA2B
SCHEMBL30439820 0.90 OPRD1 (0.52) OPRD1OPRM1MMEITGB3ITGA2B
SCHEMBL29789562 0.90 OPRD1 (0.53) OPRD1OPRM1MMEITGB3ITGA2B
SCHEMBL29630808 0.90 MMP2 (0.55) MMEMMP2ITGB3ITGA2B
SCHEMBL23142823 0.89 CTSB (0.55) QRFPROPRD1OPRM1MMEMMP2
SCHEMBL30051480 0.89 CTSB (0.55) QRFPROPRD1OPRM1MMEMMP2
SCHEMBL23142822 0.89 CTSB (0.55) QRFPROPRD1OPRM1MMEMMP2

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed