SCHEMBL20028360

SCHEMBL20028360

CC(C)OCCC[C@@H]1CCNC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL21941845 1.00 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12521988 0.89 GNAO1 (0.36) HRH3
SCHEMBL10100352 0.89 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24792369 0.79 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1515463 0.79 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20028834 0.79 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9543366 0.79 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21743442 0.78 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20028302 0.78 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12522182 0.77 GNAO1 (0.34) HRH3

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-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed