SCHEMBL21548089

SCHEMBL21548089

O=C(O)C1(O)CCN(c2nc3ccccc3n([C@H]3CC4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 1.00
OPRK1 P41145 19/20 1.00
OPRM1 P35372 18/20 1.00
OPRD1 P41143 14/20 1.00
OPRL1 P41146 2/20 0.66

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
SCHEMBL852500 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852499 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852842 0.95 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL21547985 0.95 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852843 0.95 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853095 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853096 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852272 0.89 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852271 0.89 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL13222066 0.88 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1

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
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed