SCHEMBL4753891

SCHEMBL4753891

CCC[C@H](NC1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.42
PSEN2 P49810 8/20 0.42
APH1B Q8WW43 8/20 0.42
NCSTN Q92542 8/20 0.42
APH1A Q96BI3 8/20 0.42
PSENEN Q9NZ42 8/20 0.42
GRIN2B Q13224 4/20 0.41
HDAC8 Q9BY41 3/20 0.40
MAPT P10636 1/20 0.35
KDM5B Q9UGL1 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4755470 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755672 0.89 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4753968 0.86 DRD2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755078 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4757441 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4758262 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697999 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755429 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4700878 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4754424 0.83 PSEN1 (0.43) 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