SCHEMBL8639322

SCHEMBL8639322

O=C(NCCOc1ccc(Cc2ccccc2)cc1)C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
EPHX2 P34913 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LTA4H P09960 13/20 0.55
HRH1 P35367 1/20 0.50
F10 P00742 1/20 0.47

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
SCHEMBL8635989 0.96 SMN1; SMN2 (0.57) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8641254 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL17842262 0.90 RAB9A (0.75) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8773761 0.89 MEN1 (0.54) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8644228 0.89 LTA4H (0.52) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8640087 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8641245 0.86 NPC1 (0.60) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8641864 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8640783 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL7409264 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1PKMEPHX2RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed