SCHEMBL6657644

SCHEMBL6657644

c1ccc2c(c1)nc(OCCN1CCCC1)n2OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 11/20 0.44
ACHE P22303 2/20 0.44
ESR1 P03372 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5746983 0.73 HTR7 (0.47) LTA4H
SCHEMBL5746592 0.72 HTR7 (0.48) LTA4H
SCHEMBL5747302 0.70 HTR7 (0.43) LTA4H
SCHEMBL21121296 0.69 ESR1 (0.66) LTA4HACHEESR1KCNH2
SCHEMBL4541283 0.68 NPC1 (0.41) LTA4HACHEESR1
SCHEMBL30117493 0.68 MEN1 (0.55) MEN1MAPTKMT2ALTA4HACHE
SCHEMBL31033194 0.68 MEN1 (0.86) MEN1MAPTKMT2ALTA4HACHE
SCHEMBL6575812 0.68 MEN1 (0.86) MEN1MAPTKMT2ALTA4HACHE
SCHEMBL4539823 0.67 NPC1 (0.40) LTA4HACHEESR1
SCHEMBL7134330 0.67 SRC (0.46) LTA4H

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-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed