SCHEMBL21548096

SCHEMBL21548096

COC(=O)C1(Nc2nc3ccccc3n([C@@H]3C[C@@H]4CCC3N4C3CCCCCCC3)c2=O)CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.67
OPRK1 P41145 16/20 0.67
OPRM1 P35372 15/20 0.53
OPRD1 P41143 8/20 0.52

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
SCHEMBL853492 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853493 0.90 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853515 0.80 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21548097 0.80 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853514 0.80 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21548065 0.79 OGFRL1 (0.61) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21547930 0.79 OGFRL1 (0.70) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21548079 0.79 OGFRL1 (0.70) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL17813559 0.77 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL17813596 0.77 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1

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