SCHEMBL19253141

SCHEMBL19253141

COc1cccc([C@@]2(O)CC[C@H](Cc3ccc(F)cc3)C[C@@H]2CN(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.60
▸ SLC6A2 P23975 6/20 0.60
▸ SLC6A4 P31645 6/20 0.60
▸ OPRD1 P41143 6/20 0.60
▸ OPRM1 P35372 4/20 0.60
▸ SLC22A1 O15245 2/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
SCHEMBL4663363 1.00 OPRK1 (0.60) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL8026740 0.91 OPRK1 (0.61) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL8022895 0.91 OPRK1 (0.64) OPRK1SLC6A2SLC6A4OPRD1OPRM1
Hydrochloric Acid SCHEMBL8612137 0.90 OPRK1 (0.60) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4663680 0.90 OPRK1 (0.60) OPRK1SLC6A2SLC6A4OPRD1OPRM1
Hydrochloric Acid SCHEMBL8615115 0.90 OPRK1 (0.62) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4665394 0.90 OPRK1 (0.65) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4663401 0.89 OPRM1 (0.48) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4663457 0.88 OPRM1 (0.43) OPRK1SLC6A2SLC6A4OPRD1OPRM1
SCHEMBL4665339 0.87 OPRM1 (0.47) OPRK1SLC6A2SLC6A4OPRD1OPRM1

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-20170239185-A1 ABUSE-PROOFED DOSAGE FORM Grünenthal GmbH (DE) 2017-08-24 — — US disclosed
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