SCHEMBL6202535

SCHEMBL6202535

CS(=O)(=O)c1ccccc1CC(=O)NCC1CN(Cc2cccc(Cl)c2Cl)CCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
CXCR4 P61073 1/20 0.41
CCR3 P51677 2/20 0.41
CYP2A13 Q16696 2/20 0.41
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5837289 0.87 CCR3 (0.42) CCR3CYP2A13KMT2AGAAALDH1A1
SCHEMBL5867148 0.87 CCR3 (0.56) CCR3KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL6201146 0.86 DRD4 (0.49) CCR3KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5832033 0.85 CCR3 (0.41) CXCR4CCR3CYP2A13KMT2AGAA
SCHEMBL5832664 0.84 CCR3 (0.41) CCR3CYP2A13KMT2AGAAALDH1A1
SCHEMBL5867206 0.83 DRD4 (0.50) CCR3CYP2A13KMT2ACYP3A4CYP2D6
SCHEMBL6201956 0.81 DRD4 (0.49) CCR3KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL5833059 0.80 CCR3 (0.43) CXCR4CCR3CYP2A13KMT2AGAA
SCHEMBL5832921 0.80 CCR3 (0.42) CCR3CYP2A13KMT2AGAAALDH1A1
SCHEMBL5618602 0.79 CCR3 (0.49) P2RX7CXCR4CCR3CYP2A13KMT2A

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