SCHEMBL27483471

SCHEMBL27483471

CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(OCc5ccccc5)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 4/20 0.76
▸ OPRD1 P41143 9/20 0.48
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 4/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 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
SCHEMBL20983505 0.89 MRGPRX2 (0.82) MRGPRX2OPRD1OPRM1OPRK1ADRB1
SCHEMBL29459625 0.87 MRGPRX2 (1.00) MRGPRX2OPRD1OPRM1OPRK1ADRB1
SCHEMBL5108263 0.87 MRGPRX2 (1.00) MRGPRX2OPRD1OPRM1OPRK1ADRB1
Hydrochloric Acid SCHEMBL8168636 0.86 MRGPRX2 (0.98) MRGPRX2OPRD1OPRM1OPRK1ADRB1
SCHEMBL29583693 0.82 MRGPRX2 (1.00) MRGPRX2OPRD1OPRM1OPRK1
SCHEMBL154048 0.82 MRGPRX2 (1.00) MRGPRX2OPRD1OPRM1OPRK1
SCHEMBL29449917 0.82 MRGPRX2 (1.00) MRGPRX2OPRD1OPRM1OPRK1
Methoxymethane SCHEMBL27466715 0.81 MRGPRX2 (0.94) MRGPRX2OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL27754570 0.81 MRGPRX2 (0.98) MRGPRX2OPRD1OPRM1OPRK1
SCHEMBL24880 0.80 OPRD1 (0.74) MRGPRX2OPRD1OPRM1OPRK1ADRB1

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-1152880-C Process for preparation of oxymorphone, oxycodone and derivatives — 2004-06-09 — — CN disclosed
CN-1272845-A Process for preparation of oxymorphone, oxycodone and derivatives PENICK CORP (US) 2000-11-08 — — CN disclosed
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