SCHEMBL4697067

SCHEMBL4697067

CCC[C@H](NC1Cc2ccccc2C1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.47
PSEN2 P49810 5/20 0.47
APH1B Q8WW43 5/20 0.47
NCSTN Q92542 5/20 0.47
APH1A Q96BI3 5/20 0.47
PSENEN Q9NZ42 5/20 0.47
KDM5B Q9UGL1 6/20 0.41
MAPK8 P45983 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ACR P10323 1/20 0.39
CHEK1 O14757 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 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
SCHEMBL4755672 0.93 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4756625 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697999 0.92 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4698276 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4757441 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755470 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4698770 0.86 KDM5B (0.40) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4754424 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697001 0.85 MAPK8 (0.43) KDM5BMAPK8ADORA3ADORA2AADORA2B
SCHEMBL4700674 0.85 KDM5B (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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