SCHEMBL6201146

SCHEMBL6201146

CS(=O)(=O)c1ccccc1CC(=O)NCC1CN(Cc2cccc(Cl)c2)CCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.49
CCR3 P51677 2/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL5867148 0.91 CCR3 (0.56) DRD4CCR3ALDH1A1MEN1KMT2A
SCHEMBL6201956 0.88 DRD4 (0.49) DRD4CCR3ALDH1A1MEN1KMT2A
SCHEMBL5832699 0.86 DRD4 (0.48) DRD4CCR3MAPK1ALDH1A1EPHX2
SCHEMBL5833076 0.86 DRD4 (0.48) DRD4CCR3ALDH1A1EPHX2MEN1
SCHEMBL6202535 0.86 P2RX7 (0.41) CCR3ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL5843280 0.83 DRD4 (0.47) DRD4CCR3MAPK1ALDH1A1EPHX2
SCHEMBL6716785 0.82 CCR3 (0.59) DRD4CCR3ALDH1A1MEN1KMT2A
SCHEMBL5832622 0.82 CCR3 (0.54) DRD4CCR3ALDH1A1MEN1KMT2A
SCHEMBL1807717 0.82 DRD4 (0.53) DRD4CCR3MAPK1ALDH1A1EPHX2
SCHEMBL1807716 0.82 DRD4 (0.53) DRD4CCR3MAPK1ALDH1A1EPHX2

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-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed