SCHEMBL7080481

SCHEMBL7080481

CCC(CC(=O)N[C@H](C)C(=O)O)(C(=O)O)c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7074520 0.89 MEN1 (0.32) MAPT
SCHEMBL17242862 0.77
SCHEMBL4122574 0.66
SCHEMBL7080488 0.64 NAALAD2 (0.35) FAAHSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10603399 0.63
SCHEMBL23539308 0.61 HPGD (0.32) ALDH1A1
SCHEMBL7617788 0.61 HPGD (0.32) ALDH1A1
SCHEMBL2398399 0.61 SMN1; SMN2 (0.39) FAAHSMN1; SMN2SLC6A5ALDH1A1MAPT
SCHEMBL5827532 0.61 HPGD (0.32) ALDH1A1
SCHEMBL17242845 0.61

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-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed