SCHEMBL21865895

SCHEMBL21865895

CCCC(=O)[C@H]1CCNC[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

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
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
GNAI3 P08754 4/20 0.34
GNAO1 P09471 4/20 0.34
GNAI1 P63096 4/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21867109 1.00 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13804027 0.75 SLC6A1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13439403 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18307362 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2312750 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3027763 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL22863934 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL4001723 0.75 SLC1A2 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL14009727 0.75 EPHX1 (0.54) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13986885 0.75 EPHX1 (0.54) 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-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed