SCHEMBL8212698

SCHEMBL8212698

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.62
OPRK1 P41145 17/20 0.62
OPRD1 P41143 12/20 0.61
ADRB1 P08588 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57
MRGPRX2 Q96LB1 1/20 0.57

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
SCHEMBL8207923 0.94 OPRM1 (0.63) OPRM1OPRK1OPRD1
SCHEMBL8206805 0.88 OPRD1 (0.71) OPRM1OPRK1OPRD1ADRB1PDE4D
SCHEMBL8208119 0.87 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8208118 0.87 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8206838 0.86 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8206833 0.86 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8206819 0.86 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8206821 0.86 OPRM1 (0.66) OPRM1OPRK1OPRD1
SCHEMBL8207375 0.85 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL8208039 0.85 OPRM1 (0.62) OPRM1OPRK1OPRD1

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