SCHEMBL5573533

SCHEMBL5573533

CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(C4CCCC4)cc3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 1/20 0.60
ATM Q13315 1/20 0.60
TRIM24 O15164 2/20 0.54
HTT P42858 2/20 0.50
XBP1 P17861 1/20 0.50
DRD2 P14416 8/20 0.49
DRD3 P35462 4/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5573531 1.00 LMNA (0.60) LMNASMN1; SMN2MAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL1546925 0.99 LMNA (0.59) LMNASMN1; SMN2MAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL1546930 0.99 LMNA (0.59) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1547101 0.98 LMNA (0.57) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1547100 0.98 LMNA (0.57) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1546871 0.95 ALDH1A1 (0.53) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1546874 0.95 ALDH1A1 (0.53) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1546815 0.91 DRD2 (0.51) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1546645 0.91 DRD2 (0.58) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL1546811 0.91 DRD2 (0.51) LMNASMN1; SMN2MAPTALDH1A1TP53

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
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed