SCHEMBL4698392

SCHEMBL4698392

CCC[C@H](NCc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.45
PSEN2 P49810 13/20 0.45
APH1B Q8WW43 13/20 0.45
NCSTN Q92542 13/20 0.45
APH1A Q96BI3 13/20 0.45
PSENEN Q9NZ42 13/20 0.45
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ACR P10323 1/20 0.38
CHEK1 O14757 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 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
SCHEMBL4697781 0.90 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4698884 0.80 ACR (0.47) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4696716 0.80 ACR (0.44) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4699027 0.79 NPC1 (0.38) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4677541 0.79 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4677543 0.79 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4703241 0.78 GAA (0.37) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4698276 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4058001 0.77 ADORA1 (0.45) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4697523 0.77 MAPK14 (0.46) ADORA3ADORA2AADORA2BADORA1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed