SCHEMBL4650314

SCHEMBL4650314

CCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
BCL2A1 Q16548 1/20 0.40
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1778958 0.90 MAPT (0.44) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1779662 0.88 MAPT (0.45) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1779447 0.86 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1777754 0.86 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1778609 0.86 MAPT (0.47) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1778317 0.86 CNR1 (0.47) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1780444 0.86 HRH2 (0.42) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1779350 0.85 MAPT (0.46) MAPTMAPK1HTTSMN1; SMN2HRH2
SCHEMBL1778500 0.85 MAPT (0.46) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL12603493 0.83 MAPT (0.50) MAPTMAPK1HTTSMN1; SMN2RAB9A

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-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed