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SCHEMBL6889227

SCHEMBL6889227

CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(N)CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.54
▸ C5AR1 P21730 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ NTSR1 P30989 2/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.51
▸ NMUR1 Q9HB89 1/20 0.51

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
SCHEMBL6889257 1.00 OPRD1 (0.54) OPRD1C5AR1IL23ROPRM1NTSR1
SCHEMBL29695588 0.95 OPRD1 (0.54) OPRD1C5AR1IL23R
SCHEMBL29500565 0.95 OPRD1 (0.54) OPRD1C5AR1IL23R
SCHEMBL6887945 0.92 OPRD1 (0.55) OPRD1OPRM1NTSR1
SCHEMBL6887928 0.92 OPRD1 (0.55) OPRD1OPRM1NTSR1
SCHEMBL29403705 0.92 IL23R (0.55) OPRD1C5AR1IL23R
SCHEMBL17348023 0.89 APLNR (0.44) OPRD1C5AR1IL23ROPRM1
SCHEMBL31078160 0.88 OPRD1 (0.54) OPRD1C5AR1IL23R
SCHEMBL30483821 0.88 OPRD1 (0.54) OPRD1C5AR1IL23R
SCHEMBL29627571 0.88 KEAP1 (0.59) OPRD1IL23ROPRM1NMUR2NMUR1

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-0708637-B1 SELF-ASSEMBLING POLYNUCLEOTIDE DELIVERY SYSTEM COMPRISING DENDRIMER POLYCATIONS UNIV CALIFORNIA (US) 2004-01-28 — — EP disclosed
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