SCHEMBL2466084

SCHEMBL2466084

CCCN(CCC)CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
GHSR Q92847 1/20 0.50
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
ADRB3 P13945 3/20 0.48
UCHL1 P09936 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PGR P06401 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
TRIM24 O15164 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44

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 SCHEMBL4914708 0.99 FFAR1 (0.50) FFAR1FFAR4LMNAMAPTALDH1A1
SCHEMBL7206659 0.87 CES1 (0.58) FFAR1FFAR4LMNAALDH1A1UCHL1
SCHEMBL2470985 0.84 ALDH1A1 (0.50) FFAR1FFAR4LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL4920272 0.83 ALDH1A1 (0.49) FFAR1FFAR4LMNAMAPTALDH1A1
SCHEMBL7207327 0.81 MEN1 (0.63) LMNAMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL2472514 0.81 ADRB2 (0.60) FFAR1FFAR4LMNAMAPTALDH1A1
SCHEMBL1719121 0.81 DRD3 (0.45) POLBDRD2DRD3KCNH2
SCHEMBL2472658 0.80 HTR6 (0.67) FFAR1FFAR4LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL4922779 0.80 ADRB2 (0.59) FFAR1FFAR4LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL4924167 0.80 DRD3 (0.44) POLBDRD2DRD3KCNH2

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-2371814-A1 Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-10-05 EP disclosed
EP-1809597-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed