SCHEMBL8561332

SCHEMBL8561332

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.78
OPRM1 P35372 14/20 0.78
OPRK1 P41145 13/20 0.78
MRGPRX2 Q96LB1 2/20 0.67
SLC22A1 O15245 1/20 0.67
ADRA2A P08913 1/20 0.67
ARRB1 P49407 1/20 0.67

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
SCHEMBL12220381 0.93 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29894293 0.92 OPRD1 (0.77) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL22959885 0.92 OPRD1 (0.77) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL30301310 0.91 OPRM1 (0.74) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL13998949 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL7940016 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL17302927 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16922133 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29368031 0.90 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16810050 0.90 OPRM1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1

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-0557385-B1 TOPICAL COMPOSITIONS FOR TRANSDERMAL DELIVERY OF PRODUG DERIVATIVES OF MORPHINE PHARMACIA & UPJOHN AB (SE) 1998-07-22 EP disclosed