SCHEMBL5867293

SCHEMBL5867293

CS(=O)(=O)Nc1cccc(CC(=O)NCC2CN(Cc3ccc(F)cc3)CCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 6/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 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
SCHEMBL2858926 0.92 DRD4 (0.47) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL5831904 0.92 DRD4 (0.47) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4023311 0.92 CCR3 (0.53) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4031595 0.90 LMNA (0.52) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4031128 0.90 LMNA (0.52) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4025307 0.90 LMNA (0.52) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4024063 0.90 SIGMAR1 (0.45) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL5832881 0.88 SIGMAR1 (0.49) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL5843280 0.86 DRD4 (0.47) SIGMAR1LMNAMEN1CYP1A2CYP3A4
SCHEMBL4021732 0.86 EPHX2 (0.41) SIGMAR1LMNAMEN1CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504625-A 2006-02-09 JP claimed
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 claimed
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 claimed
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