SCHEMBL8418756

SCHEMBL8418756

COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)c4ccccc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.76
OPRK1 P41145 9/20 0.76
OPRD1 P41143 4/20 0.76
MRGPRX2 Q96LB1 3/20 0.68
ADRB1 P08588 1/20 0.68
PDE4D Q08499 1/20 0.68
PDE3A Q14432 1/20 0.68

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
SCHEMBL1556900 0.93 OPRD1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL15734537 0.93 OPRD1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8769574 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8769499 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8770145 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8770164 0.92 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Nicocodine SCHEMBL29531263 0.91 OPRM1 (0.69) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Nicocodine SCHEMBL159020 0.91 OPRM1 (0.69) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Nicocodine SCHEMBL1023092 0.91 OPRM1 (0.69) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13250907 0.90 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977395-A ALKYLATION RHONE-POULENC CHIMIE (FR) 1999-11-02 US disclosed
EP-0793664-A1 MORPHINE AND CODEINE DERIVATIVES FOR USE IN THERAPY BTG INTERNATIONAL LIMITED (GB) 1997-09-10 EP disclosed
US-5637722-A ALKYLATION OF NUCLEOPHILE WITH ALKYL PROPARGYL XANTHATE RHONE-POULENC CHIMIE (FR) 1997-06-10 US disclosed
WO-1996016063-A1 MORPHINE AND CODEINE DERIVATIVES FOR USE IN THERAPY BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-05-30 WO disclosed