SCHEMBL2862149

SCHEMBL2862149

C[Si](C)(C)c1ccc(C2CC(CC(=O)O)CCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 10/20 0.44
S1PR1 P21453 10/20 0.44
S1PR5 Q9H228 10/20 0.44
S1PR3 Q99500 5/20 0.43
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
DGAT1 O75907 3/20 0.34
CHRNA7 P36544 1/20 0.33
SOAT1 P35610 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 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
SCHEMBL13604607 0.86 S1PR4 (0.36) S1PR4S1PR1S1PR5S1PR3DGAT1
SCHEMBL27869789 0.83 SLC6A1 (0.42) S1PR4S1PR1S1PR5S1PR3SLC6A1
SCHEMBL27852997 0.82 S1PR4 (0.42) S1PR4S1PR1S1PR5S1PR3SLC6A1
SCHEMBL27869829 0.82 S1PR4 (0.42) S1PR4S1PR1S1PR5S1PR3SLC6A1
SCHEMBL4493249 0.82 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3DGAT1
SCHEMBL2493402 0.82 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3DGAT1
SCHEMBL2861143 0.82 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3DGAT1
SCHEMBL21820688 0.82 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3DGAT1
Hydrochloric Acid SCHEMBL2874986 0.81 PSEN1 (0.44) S1PR4S1PR1S1PR5S1PR3DGAT1
Hydrochloric Acid SCHEMBL28794751 0.81 GRIK2 (0.40) S1PR4S1PR1S1PR5S1PR3SLC6A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 WO disclosed