SCHEMBL27855934

SCHEMBL27855934

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OC(=O)CCCC(=O)O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 14/20 0.72
▸ OPRD1 P41143 13/20 0.72
▸ OPRK1 P41145 12/20 0.72
▸ MRGPRX2 Q96LB1 3/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ARRB1 P49407 1/20 0.62

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
SCHEMBL30301310 0.95 OPRM1 (0.74) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL22959885 0.95 OPRD1 (0.77) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL29894293 0.95 OPRD1 (0.77) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL5666860 0.93 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL8211645 0.91 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL8211648 0.91 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL15449784 0.90 OPRD1 (0.67) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL8561332 0.89 OPRD1 (0.78) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL12220381 0.89 OPRD1 (0.78) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL16810050 0.88 OPRM1 (0.82) OPRM1OPRD1OPRK1MRGPRX2SLC22A1

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
CN-102002049-B Antigen and preparation method and application thereof UNIV BEIJING 2013-01-02 — — CN disclosed
CN-102002049-A Antigen and preparation method and application thereof UNIV BEIJING 2011-04-06 — — CN disclosed
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