SCHEMBL2862048

SCHEMBL2862048

O=C(O)C[C@H]1CN[C@@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.53
S1PR1 P21453 8/20 0.53
S1PR5 Q9H228 8/20 0.53
S1PR3 Q99500 5/20 0.53
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KDM1A O60341 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37

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
SCHEMBL2862047 1.00 S1PR4 (0.53) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL2861143 0.86 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL4493249 0.86 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL2493402 0.86 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL21820688 0.86 PSEN1 (0.45) S1PR4S1PR1S1PR5S1PR3PSEN1
Hydrochloric Acid SCHEMBL2161847 0.85 PSEN1 (0.44) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL8267837 0.85 S1PR4 (0.44) S1PR4S1PR1S1PR5S1PR3
Hydrochloric Acid SCHEMBL2874986 0.85 PSEN1 (0.44) S1PR4S1PR1S1PR5S1PR3PSEN1
SCHEMBL27798006 0.80 P2RY14 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
Acetic Acid SCHEMBL9894871 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed