SCHEMBL19068337

SCHEMBL19068337

CC(=O)Oc1cc(C)c(C)c2c1O[C@H]1[C@@H](OC(C)=O)C=CC3[C@@H](C)N(C)CC[C@@]231

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.49
▸ OPRM1 P35372 8/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ MRGPRX2 Q96LB1 3/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 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
SCHEMBL14501894 0.88 OPRD1 (0.56) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL19068368 0.84 OPRD1 (0.44) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL19068356 0.83 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL14501896 0.83 OPRM1 (0.55) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL14501897 0.81 OPRM1 (0.55) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL16126166 0.77 OPRD1 (0.58) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL30948834 0.77 OPRD1 (0.58) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922136 0.76 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922130 0.76 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL17302926 0.76 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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-9694069-B2 6-acetylmorphine analogs, and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2017-07-04 — — US disclosed
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