SCHEMBL4758262

SCHEMBL4758262

CCC[C@H](NC1CCc2cc(OC)c(OC)cc2C1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.42
PSEN2 P49810 13/20 0.42
APH1B Q8WW43 13/20 0.42
NCSTN Q92542 13/20 0.42
APH1A Q96BI3 13/20 0.42
PSENEN Q9NZ42 13/20 0.42
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
KDM5B Q9UGL1 2/20 0.37
MAPK8 P45983 1/20 0.36
GSAP A4D1B5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4755310 0.91 CA1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4754424 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4753968 0.90 DRD2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755672 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755470 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4757441 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697067 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755078 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697999 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4753891 0.84 PSEN1 (0.42) 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