SCHEMBL4637685

SCHEMBL4637685

CC(C)CC1CN(C(=O)O)CCc2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
SLC18A2 Q05940 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
MTOR P42345 1/20 0.37
SCN2A Q99250 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2124647 0.87 ESR1 (0.44) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5170176 0.85 SLC18A2 (0.36) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5162126 0.84 KDM4C (0.38) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5551732 0.84 MTNR1B (0.50) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5170187 0.84 SLC18A2 (0.36) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL2120757 0.83 PPARD (0.39) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5669989 0.83 ESR1 (0.38) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5556546 0.82 RAB9A (0.43) KDM4EALDH1A1POLBHTR1AMAPT
SCHEMBL5552130 0.82 DRD1 (0.44) SLC18A2KDM4EABCB11ALDH1A1POLB
SCHEMBL5243261 0.82 HTR1A (0.41) ALDH1A1HTR1AADRA2ATSHRHTR2B

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-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
EP-1713778-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-25 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 WO disclosed
WO-2005058837-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed