SCHEMBL3049910

SCHEMBL3049910

CN1CCN(C(CC2(O)CCCCC2)c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 18/20 0.58
▸ SLC6A3 Q01959 13/20 0.58
▸ SLC6A4 P31645 11/20 0.58
▸ MC4R P32245 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4731110 0.86 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4MC4R
SCHEMBL4732656 0.86 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4949114 0.83 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4MC4RKDM4E
SCHEMBL4730527 0.83 SLC6A2 (0.61) SLC6A2SLC6A4MC4R
Hydrochloric Acid SCHEMBL27655995 0.81 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4955940 0.76 USP2 (0.41) SLC6A2SLC6A3SLC6A4KDM4ESMN1; SMN2
SCHEMBL3976064 0.74 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3049907 0.74 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL4976031 0.74 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL4975031 0.74 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328835-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2018-06-06 — — EP disclosed
WO-2017023679-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2017-02-09 — — WO disclosed
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
EP-2200997-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF Concert Pharmaceuticals Inc. (US) 2010-06-30 — — EP disclosed
WO-2010028130-A2 ANTIDEPRESSANT COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2010-03-11 — — WO disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 — — EP disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 — — WO disclosed
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