SCHEMBL20028045

SCHEMBL20028045

CC(C)OC[C@H](O)CC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ 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
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ TPSAB1 Q15661 1/20 0.30
▸ TPSD1 Q9BZJ3 1/20 0.30
▸ TPSG1 Q9NRR2 1/20 0.30

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
SCHEMBL20028736 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL21941843 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL20028807 0.83 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL19476575 0.83 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20027939 0.83 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21743169 0.80 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24793821 0.79 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667917 0.79 MAPK1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21667916 0.79 MAPK1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL19709190 0.79 MAPK1 (0.37) 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
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 — — WO disclosed
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