SCHEMBL4696997

SCHEMBL4696997

CCC[C@H](NC1CCc2cc(F)ccc21)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.42
PSEN1 P49768 7/20 0.39
PSEN2 P49810 7/20 0.39
APH1B Q8WW43 7/20 0.39
NCSTN Q92542 7/20 0.39
APH1A Q96BI3 7/20 0.39
PSENEN Q9NZ42 7/20 0.39
ACE P12821 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GSAP A4D1B5 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
MAPK8 P45983 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4700824 0.90 ACE (0.42) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL4698276 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4700878 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4755672 0.80 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4786303 0.78 ACE (0.50) TRPV1ACECA12CA1CA2
SCHEMBL4786307 0.78 ACE (0.50) TRPV1ACECA12CA1CA2
SCHEMBL4697067 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4697001 0.78 MAPK8 (0.43) KDM5BMAPK8
SCHEMBL4700050 0.77 KDM5B (0.36) KDM5BMAPK8
SCHEMBL4755310 0.77 CA1 (0.45) 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