SCHEMBL7303426

SCHEMBL7303426

N[C@H](CO)CCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.62
S1PR4 O95977 1/20 0.62
S1PR1 P21453 1/20 0.62
S1PR3 Q99500 1/20 0.62
MAOA P21397 1/20 0.48
TRPA1 O75762 1/20 0.47
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SPHK1 Q9NYA1 1/20 0.45
GRIK1 P39086 1/20 0.45
FAAH O00519 1/20 0.43

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
SCHEMBL7310306 0.98 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL28779881 0.98 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820069 0.92 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL7309652 0.92 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL6820062 0.92 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL1177666 0.84 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL4969986 0.84 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL1568623 0.84 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL11816141 0.83 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3MAOA
SCHEMBL5681630 0.81 S1PR2 (0.58) 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