SCHEMBL8199482

SCHEMBL8199482

CSCC(=O)OC1C=C[C@H]2[C@H]3Cc4ccc(OC(C)=O)c5c4[C@@]2(CCN3C)C1O5

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.72
OPRM1 P35372 13/20 0.62
OPRK1 P41145 11/20 0.62
MRGPRX2 Q96LB1 2/20 0.56
ADRB1 P08588 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3A Q14432 1/20 0.56

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
SCHEMBL8206808 0.92 OPRD1 (0.70) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL30789045 0.91 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL21063282 0.91 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15822773 0.91 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16183153 0.90 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL35150 0.90 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL10381363 0.90 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL14463869 0.90 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL17302926 0.90 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL13998950 0.90 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-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 US disclosed