SCHEMBL7310306

SCHEMBL7310306

N[C@H](CO)CCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.59
S1PR4 O95977 1/20 0.59
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 1/20 0.59
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
GRIK1 P39086 1/20 0.46
TRPA1 O75762 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTR3A P46098 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL28779881 1.00 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL7303426 0.98 S1PR2 (0.62) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820062 0.94 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820069 0.94 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL7309652 0.94 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL1177666 0.86 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL1568623 0.86 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL4969986 0.86 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL7619901 0.82 MAOA (0.57) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL3266047 0.81 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3MAOA

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed