SCHEMBL3411686

SCHEMBL3411686

CN1CCN(C=O)C(c2ccc3[nH]ccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP2A6 P11509 1/20 0.39
CHRNA7 P36544 4/20 0.39
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
PRMT5 O14744 2/20 0.35
KCNH2 Q12809 3/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
LTA4H P09960 2/20 0.34
MAPT P10636 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL4565000 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2A6CHRNA7
SCHEMBL984538 0.73 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNA7ACHE
SCHEMBL28775974 0.73 KDM4E (0.39) DRD2MAPT
SCHEMBL4553663 0.72 KDM4E (0.40) SLC6A2SLC6A4CHRNA7KCNH2CHRM1
SCHEMBL28563678 0.72 HSP90AA1 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL14961253 0.70 CHRNB2 (0.49) CHRNA7
SCHEMBL18394286 0.70 PDE4B (0.37) HTR4
SCHEMBL14571687 0.70 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3KCNH2CHRM1
SCHEMBL3408790 0.69 HPGD (0.41) MAPT
SCHEMBL1126544 0.68 DRD2 (0.38) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114878-B1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2010-12-15 EP disclosed
EP-2114878-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2009-11-11 EP disclosed
WO-2008084492-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2008-07-17 WO disclosed