SCHEMBL2009518

SCHEMBL2009518

NC(=O)C12CC1CCCCCCCCCN1CCCC1CN2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL3 Q96JM7 5/20 0.32
▸ L3MBTL1 Q9Y468 4/20 0.32
▸ SIGMAR1 Q99720 4/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MBTD1 Q05BQ5 1/20 0.31

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
Hydrochloric Acid SCHEMBL3696745 0.99 HTR6 (0.37) HTR6HRH3KCNH2MEN1KMT2A
SCHEMBL2151647 0.87 HTR6 (0.39) HTR6HRH3KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL2151722 0.86 HTR6 (0.38) HTR6HRH3KCNH2MEN1KMT2A
Diethylamine SCHEMBL2151568 0.79 MEN1 (0.33) HTR6MEN1KMT2ASIGMAR1CHRM5
SCHEMBL2012120 0.77 L3MBTL3 (0.31) HTR6L3MBTL3L3MBTL1
SCHEMBL2012118 0.77 L3MBTL3 (0.31) HTR6L3MBTL3L3MBTL1
SCHEMBL2012122 0.77 L3MBTL3 (0.31) HTR6L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL29716176 0.76 L3MBTL3 (0.30) HTR6L3MBTL3L3MBTL1
SCHEMBL7392128 0.70 KDM4E (0.34) KMT2A
SCHEMBL1026396 0.66 — —

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 — — EP claimed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — WO claimed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 — — EP claimed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 — — WO claimed
EP-2504344-A1 HEPATITIS C INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2012-10-03 — — EP claimed
EP-3694512-A1 METHODS FOR TREATING HCV Abbvie Inc. (US) 2020-08-19 — — EP disclosed
WO-2019074507-A1 METHODS FOR TREATING HCV ABBVIE INC. (US) 2019-04-18 — — WO disclosed
WO-2019046569-A1 METHODS FOR TREATING HCV ABBVIE INC. (US) 2019-03-07 — — WO disclosed
WO-2019027694-A1 METHODS FOR TREATING HCV ABBVIE INC. (US) 2019-02-07 — — WO disclosed
EP-3313398-A1 METHODS FOR TREATING HCV AbbVie Inc. (US) 2018-05-02 — — EP disclosed
WO-2017004053-A1 METHODS FOR TREATING HCV ABBVIE INC. (US) 2017-01-05 — — WO disclosed
EP-3099295-A1 DOSE ADJUSTMENT IN COMBINATION THERAPY OF HEPATITIS C Abbvie Inc. (US) 2016-12-07 — — EP disclosed
EP-2576564-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Abbvie Inc. (US) 2013-04-10 — — EP disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 — — WO disclosed
EP-2504344-A1 HEPATITIS C INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2012-10-03 — — EP disclosed
WO-2012092411-A2 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-07-05 — — WO disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 — — WO disclosed
EP-2340029-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2011-07-06 — — EP disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 — — WO disclosed
WO-2010030359-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARJMACEUTICALS, INC. (US) 2010-03-18 — — WO disclosed
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