SCHEMBL4630220

SCHEMBL4630220

O=C(CCO)C1CNCCN1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL28210724 0.83 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27468849 0.82
SCHEMBL4630213 0.82 HSD17B10 (0.35)
SCHEMBL4630350 0.79 PRCP (0.39)
SCHEMBL5537427 0.79 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5543593 0.78
SCHEMBL4629600 0.78
SCHEMBL4630110 0.78 REN (0.36)
SCHEMBL28874795 0.78 PRCP (0.41)
SCHEMBL4659265 0.78 CHRNB2 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed