SCHEMBL8515554

SCHEMBL8515554

O=C1CNCCC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MAOB P27338 1/20 0.43
HDAC8 Q9BY41 2/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 2/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
Hydrochloric Acid SCHEMBL6677769 0.98 GBA1 (0.51) GBA1DDB1CRBNMAOBHDAC8
SCHEMBL837901 0.79 DDB1 (0.60) GBA1DDB1CRBNMAOBHDAC8
SCHEMBL3263571 0.77 GBA1 (0.50) GBA1DDB1CRBNMAOBPOLB
SCHEMBL3263577 0.77 GBA1 (0.50) GBA1DDB1CRBNMAOBPOLB
SCHEMBL29016897 0.76 DDB1 (0.61) GBA1DDB1CRBNMAOBHSD11B1
SCHEMBL29013938 0.73 DDB1 (0.52) DDB1CRBNMAOBHDAC8POLB
SCHEMBL23056654 0.73 PTGS2 (0.59) DDB1CRBNHSD11B1
SCHEMBL29169544 0.73 PTGS2 (0.59) DDB1CRBNHSD11B1
SCHEMBL793526 0.73 PTGS2 (0.59) DDB1CRBNHSD11B1
SCHEMBL27647515 0.72 GBA1 (0.33) GBA1GABRA1GABRG2GABRB3

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-1136475-B1 Piperidine and piperazine compounds for use in the treatment of Alzheimer HOFFMANN LA ROCHE (CH) 2004-08-18 EP disclosed