SCHEMBL7086085

SCHEMBL7086085

Cc1cccc(CC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.57
DRD4 P21917 6/20 0.49
SIGMAR1 Q99720 3/20 0.48
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 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
SCHEMBL4028498 0.91 CCR3 (0.66) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL4021803 0.91 CCR3 (0.59) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL4156918 0.91 CCR3 (0.61) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL4024938 0.89 CCR3 (0.62) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL4024792 0.89 CCR3 (0.57) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL5832441 0.89 CCR3 (0.60) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL6202605 0.88 CCR3 (0.55) CCR3DRD4SIGMAR1NPC1MEN1
SCHEMBL6202331 0.88 CCR3 (0.55) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL4027381 0.88 CCR3 (0.59) CCR3DRD4SIGMAR1MEN1LMNA
SCHEMBL5618491 0.88 CCR3 (0.71) CCR3DRD4SIGMAR1MEN1LMNA

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-1324990-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026722-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed