SCHEMBL5484273

SCHEMBL5484273

O=C(O)N1CCN(CCCC#Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 3/20 0.42
CACNA1G O43497 2/20 0.41
PYGL P06737 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PTPRC P08575 1/20 0.39
PTPRG P23470 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL5484713 0.90 DRD2 (0.47) SIGMAR1DRD2CACNA1GPYGLDRD4
SCHEMBL5479482 0.84 MEN1 (0.49) SIGMAR1DRD2MAPK1DRD4DRD3
SCHEMBL5482967 0.82 SIGMAR1 (0.45) SIGMAR1ALDH1A1DRD2CACNA1GMAPT
SCHEMBL5483920 0.81 MEN1 (0.42) SIGMAR1ALDH1A1DRD2CACNA1GDRD4
SCHEMBL2178789 0.80 FAAH (0.41) SIGMAR1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2177270 0.72 FAAH (0.41) ALDH1A1DRD2MAPTHPGDTSHR
SCHEMBL23705502 0.70 CRBN (0.50) ALDH1A1TSHR
SCHEMBL5480984 0.70 HRH3 (0.46) SIGMAR1MAPK1SLC6A4HRH3
SCHEMBL2932153 0.69 SIGMAR1 (0.69) SIGMAR1ALDH1A1KDM4ESMN1; SMN2CACNA1G
SCHEMBL7009189 0.68 PYGL (0.48) ALDH1A1KDM4EPYGLMAPTPTPRC

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-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP claimed
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP disclosed