SCHEMBL6944016

SCHEMBL6944016

C#[N+]CCCCCCNc1c(C2CCCCC2)nc2cccc(C)n12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
GAA P10253 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 4/20 0.32
PKLR P30613 4/20 0.32
PKM P14618 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
ADORA1 P30542 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5167260 0.88 CREBBP (0.32) ALDH1A1LMNA
SCHEMBL6943398 0.84 BACE1 (0.47) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL7017893 0.84 BACE1 (0.38) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL7017885 0.84 BACE1 (0.38) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL1970088 0.77 BACE1 (0.48) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL1965193 0.77 BACE1 (0.48) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL6276745 0.72 ATM (0.38) ALDH1A1KDM4ENPSR1
SCHEMBL5167594 0.71 ATM (0.37) MAPTALDH1A1KDM4ELMNA
SCHEMBL7015907 0.71 CREBBP (0.43) BACE1GAAMAPTALDH1A1KDM4E
SCHEMBL5168422 0.69 GAA (0.41) BACE1GAAMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
JP-2003517466-A 2003-05-27 JP claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO disclosed