SCHEMBL24428840

SCHEMBL24428840

CC(C)CCC(C)CC1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
KCNH2 Q12809 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
SCHEMBL19173899 0.81 GNAO1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1691633 0.81
SCHEMBL1517058 0.81
SCHEMBL4420168 0.81
SCHEMBL27912761 0.80 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL26049755 0.80 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2315574 0.78 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5252611 0.78 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5252616 0.78 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL4409084 0.78 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed