SCHEMBL4054436

SCHEMBL4054436

FC1CNCC[N+](Cc2ccccc2)(Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
LTA4H P09960 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CHRM3 P20309 3/20 0.31
CHRM2 P08172 2/20 0.31

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
SCHEMBL7782665 0.74 SIGMAR1 (0.37) GBA1SLC6A2SLC6A4SIGMAR1
SCHEMBL16168595 0.71 CHRNA7 (0.41) GBA1SLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL10860816 0.69 SIGMAR1 (0.37) GBA1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL3375191 0.69 CHRNA7 (0.39) GBA1SIGMAR1
SCHEMBL15749661 0.67 SLC6A2 (0.38) GBA1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL1017459 0.67 HIF1A (0.46) CHRNB4CHRNA3SIGMAR1
SCHEMBL5024201 0.66 LMNA (0.33) GBA1SLC6A2SLC6A4SLC6A3CHRM3
Bromide SCHEMBL15709541 0.66 SLC6A2 (0.37) GBA1SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL6440687 0.65 HIF1A (0.47) GBA1SLC6A2SLC6A4SLC6A3CHRNB4
SCHEMBL15722779 0.65 GBA1 (0.37) GBA1SLC6A2SLC6A4SLC6A3CHRNB4

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-2069315-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-17 EP disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed