SCHEMBL12830850

SCHEMBL12830850

COc1ccc2c3c1O[C@H]1[C@@H](OC)C=CC4C(C2)N(C)CC[C@@]341

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 1.00
▸ OPRK1 P41145 12/20 1.00
▸ OPRD1 P41143 6/20 1.00
▸ MRGPRX2 Q96LB1 3/20 0.78
▸ ADRB1 P08588 1/20 0.78
▸ PDE4D Q08499 1/20 0.78
▸ PDE3A Q14432 1/20 0.78

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
SCHEMBL15721372 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL14107503 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL1490396 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL14153815 1.00 OPRM1 (1.00) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL11778970 0.94 OPRM1 (0.89) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13250907 0.91 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3476307 0.91 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL16922125 0.91 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3475284 0.91 OPRD1 (0.85) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL24579 0.91 OPRM1 (0.82) 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
WO-2011032214-A1 A METHOD FOR THE N-DEMETHYLATION OF N-METHYL HETEROCYCLES MONASH UNIVERSITY (AU) 2011-03-24 — — WO disclosed
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