SCHEMBL4629640

SCHEMBL4629640

[CH2]CC1CNCC(CCCC)N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.37
S1PR2 O95136 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
GBA1 P04062 4/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.30
GLA P06280 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
SCHEMBL293323 0.94 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL294020 0.92 S1PR2 (0.42) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL293664 0.88 GBA1 (0.31) GBA1
SCHEMBL292787 0.85 S1PR2 (0.39) GLB1S1PR2S1PR4S1PR1S1PR3
SCHEMBL293407 0.83 GLB1 (0.39) GLB1S1PR2S1PR4S1PR1S1PR3
SCHEMBL7251366 0.81 S1PR2 (0.49) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7247868 0.81 S1PR2 (0.49) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7252063 0.81 S1PR2 (0.49) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7254044 0.81 S1PR2 (0.49) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL293106 0.81 S1PR2 (0.42) S1PR2S1PR4S1PR1S1PR3S1PR5

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