SCHEMBL8208258

SCHEMBL8208258

COCOc1ccc2c3c1O[C@H]1[C@@H](OC(=O)CCc4ccccc4OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.62
OPRK1 P41145 11/20 0.62
OPRD1 P41143 5/20 0.62
MRGPRX2 Q96LB1 3/20 0.58
ADRB1 P08588 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL8208260 1.00 OPRM1 (0.62) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8206736 0.94 OPRM1 (0.63) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8504755 0.94 OPRM1 (0.63) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8212830 0.91 OPRD1 (0.65) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8212829 0.91 OPRD1 (0.65) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8208118 0.90 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8208119 0.90 OPRM1 (0.65) OPRM1OPRK1OPRD1
SCHEMBL8206838 0.89 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8206833 0.89 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL8207244 0.89 OPRM1 (0.60) 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 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