SCHEMBL14856415

SCHEMBL14856415

CC(C)(C)c1ccc(N2C(c3ccc(N)cc3)CCC2c2ccc(N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
RIPK1 Q13546 1/20 0.38
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
GFER P55789 2/20 0.36
ADRA2C P18825 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1989823 1.00 MAPT (0.43) MAPTALDH1A1NPC1HPGDMAPK1
SCHEMBL1989751 1.00 MAPT (0.43) MAPTALDH1A1NPC1HPGDMAPK1
SCHEMBL237269 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL240803 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL1989822 0.84 RIPK1 (0.38) MAPK1SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL1983143 0.84 KIF11 (0.47) CYP3A4PRKCZ
SCHEMBL2374410 0.84 RIPK1 (0.38) MAPK1SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL1982165 0.84 KIF11 (0.47) CYP3A4PRKCZ
SCHEMBL240802 0.84 PRKCZ (0.45) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL1982140 0.84 MAPT (0.35) MAPTALDH1A1NPC1RAB9AKMT2A

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
WO-2015171162-A1 ANTI-VIRAL COMPOUND ABBVIE INC. (US) 2015-11-12 WO disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed