SCHEMBL6676676

SCHEMBL6676676

N[C@@H]1CCc2ccccc2S1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
ANPEP P15144 4/20 0.40
IDO1 P14902 2/20 0.37
HTR2A P28223 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL5255259 1.00 PLAU (0.45) PLAUSIGMAR1ANPEPIDO1HTR2A
SCHEMBL14388742 0.78 PLAU (0.39) PLAUSIGMAR1ANPEPIDO1HTR2A
SCHEMBL6721448 0.77 SIGMAR1 (0.43) PLAUSIGMAR1ANPEPIDO1PDPK1
SCHEMBL10780065 0.75 SIGMAR1 (0.42) PLAUSIGMAR1IDO1PDPK1
SCHEMBL30724832 0.75 SIGMAR1 (0.42) PLAUSIGMAR1IDO1PDPK1
SCHEMBL15547683 0.75 SIGMAR1 (0.42) PLAUSIGMAR1ANPEPIDO1PDPK1
SCHEMBL9722865 0.75 SIGMAR1 (0.42) PLAUSIGMAR1ANPEPIDO1HTR2A
SCHEMBL28525701 0.73 SIGMAR1 (0.41) PLAUSIGMAR1ANPEPIDO1PDPK1
SCHEMBL30160953 0.73 SIGMAR1 (0.41) PLAUSIGMAR1ANPEPIDO1PDPK1
SCHEMBL11129686 0.73 SIGMAR1 (0.44) PLAUSIGMAR1IDO1PDPK1

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-1434580-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-07-07 EP disclosed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed