SCHEMBL9218015

SCHEMBL9218015

CCCCOC(=O)NC1CCC12CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 2/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ACHE P22303 6/20 0.36
ASAH1 Q13510 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL18321902 0.92 GAA (0.41) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9218020 0.87 NAAA (0.42) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL24660135 0.86 OPRM1 (0.38) NAAA
SCHEMBL7747243 0.84 NAAA (0.41) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9211227 0.83 GAA (0.42) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL7747244 0.80 NAAA (0.45) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL953293 0.77 GNAI3 (0.55) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL30802452 0.77 GAA (0.44) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL9211223 0.76 NAAA (0.40) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL951710 0.74 GAA (0.50) NAAAGAAMAPK1HTTSMN1; SMN2

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-0641339-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1995-03-08 EP disclosed
WO-1992022550-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1992-12-23 WO disclosed