SCHEMBL22169583

SCHEMBL22169583

CC(C)CCN1CCN(C2(C(=O)c3ccccn3)CCO[C@H](C)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.36
CTNNB1 P35222 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL22169569 1.00 PRCP (0.36) PRCPCTNNB1KDM4EGAAHSD17B10
SCHEMBL19631726 1.00 PRCP (0.36) PRCPCTNNB1KDM4EGAAHSD17B10
SCHEMBL19631882 1.00 PRCP (0.36) PRCPCTNNB1KDM4EGAAHSD17B10
SCHEMBL19631737 1.00 PRCP (0.36) PRCPCTNNB1KDM4EGAAHSD17B10
SCHEMBL19631825 1.00 PRCP (0.36) PRCPCTNNB1KDM4EGAAHSD17B10
SCHEMBL21221669 0.88 OPRM1 (0.38) PRCPHTR1ADRD2
SCHEMBL21221812 0.88 OPRM1 (0.38) PRCPHTR1ADRD2
SCHEMBL19631808 0.88 OPRM1 (0.38) PRCPHTR1ADRD2
SCHEMBL22169600 0.88 OPRM1 (0.38) PRCPHTR1ADRD2
SCHEMBL19631760 0.88 OPRM1 (0.38) PRCPHTR1ADRD2

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-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed