SCHEMBL6658075

SCHEMBL6658075

CC(C)N1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.68
SLC2A1 P11166 1/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MAPK1 P28482 1/20 0.62
HRH3 Q9Y5N1 9/20 0.58
KCNH2 Q12809 2/20 0.57
HRH1 P35367 1/20 0.57
HRH4 Q9H3N8 1/20 0.55
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL19231706 0.91 TDP1 (0.62) LTA4HSLC2A1RAB9ANPC1MAPK1
SCHEMBL19080586 0.84 HTR1A (0.63) SLC2A1RAB9ANPC1MAPK1HRH3
SCHEMBL6658840 0.84 RAB9A (0.86) LTA4HRAB9ANPC1MAPK1HRH3
SCHEMBL1899201 0.82 LTA4H (1.00) LTA4HRAB9ANPC1HRH3KCNH2
SCHEMBL14970484 0.80 LTA4H (0.97) LTA4HRAB9ANPC1HRH3KCNH2
SCHEMBL4237405 0.79 LTA4H (0.72) LTA4HRAB9ANPC1MAPK1HRH3
SCHEMBL13150048 0.78 TDP1 (0.65) LTA4HMAPK1HRH3TDP1
SCHEMBL13103634 0.78 HRH3 (0.64) LTA4HRAB9ANPC1HRH3
SCHEMBL11898739 0.78 NPC1 (0.97) LTA4HRAB9ANPC1HRH3KCNH2
SCHEMBL1776344 0.75 MEN1 (0.55) SLC2A1RAB9ANPC1MAPK1HRH3

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-1463731-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE Abbott GmbH & Co. KG (DE) 2004-10-06 EP disclosed
WO-2003057699-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2003-07-17 WO disclosed