SCHEMBL23152247

SCHEMBL23152247

CC(C)(CN)OC(=O)[C@H]1CNCC[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL3093516 0.88 MAPT (0.34) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL28071350 0.84 CHRM2 (0.33) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL8436600 0.84 CHRNB2 (0.32)
SCHEMBL690050 0.81 MAPT (0.38) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL659836 0.81 MAPT (0.38) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL661356 0.81 MAPT (0.38) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL167002 0.81 SSTR4 (0.34) MAPTPKMSLC6A1GABRA5GABRB2
SCHEMBL7501322 0.80 MAPT (0.47) MAPTPKM
SCHEMBL19973194 0.79 MAPT (0.33) MAPTPKM
SCHEMBL1555124 0.78 GABRR1 (0.35) GABRR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4034541-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
WO-2021058444-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed