SCHEMBL8322225

SCHEMBL8322225

c1ccc(COc2cccc(N3CCCC3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
AGXT P21549 1/20 0.58
GRM5 P41594 1/20 0.56
ALOX5 P09917 1/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 1/20 0.51
LTA4H P09960 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
MAOA P21397 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL3103344 0.98 MAOB (0.57) MAOBAGXTGRM5ALOX5CYP4F2
SCHEMBL4671546 0.86 ADRB1 (0.59) MAOBGRM5ALOX5LTA4HHTT
SCHEMBL4178519 0.86 USP2 (0.63) MAOBAGXTGRM5ALOX5HRH3
SCHEMBL1263059 0.86 AGXT (0.61) MAOBAGXTGRM5ALOX5ALDH1A1
SCHEMBL4671542 0.86 ALOX5 (0.54) MAOBGRM5ALOX5CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL1532961 0.85 ADRB1 (0.57) MAOBGRM5ALOX5LTA4H
SCHEMBL13097312 0.84 NPC1 (0.58) MAOBGRM5ALOX5CYP4F2CYP4A11
SCHEMBL16046663 0.83 LTA4H (0.62) MAOBLTA4HHRH3MAOAKDM4E
SCHEMBL9047395 0.82 LTA4H (0.60) LTA4HHRH3KDM4EALDH1A1LMNA
SCHEMBL13097316 0.82 PRMT5 (0.52) MAOBGRM5ALOX5CYP4F2CYP4A11

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-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed