SCHEMBL4966337

SCHEMBL4966337

COc1ccc(C(O)C(=O)NC(C)C(=O)Nc2cc(CC(C)c3cc(F)cc(F)c3)n[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.36
PSEN1 P49768 6/20 0.36
PSEN2 P49810 6/20 0.36
APH1B Q8WW43 6/20 0.36
NCSTN Q92542 6/20 0.36
APH1A Q96BI3 6/20 0.36
PSENEN Q9NZ42 6/20 0.36
MAPK1 P28482 6/20 0.35
BMP1 P13497 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
EIF2S1 P05198 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
SPPL2A Q8TCT8 1/20 0.33
HTRA1 Q92743 2/20 0.33

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
SCHEMBL4963446 0.92 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943584 0.90 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4948485 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4942219 0.89 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4948980 0.89 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943615 0.88 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943720 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4945254 0.85 PSEN1 (0.43) GLSPSEN1PSEN2APH1BNCSTN
SCHEMBL4956783 0.85 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4946203 0.84 PSEN1 (0.38) GLSPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633350-A4 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARM INC (US) 2008-11-26 EP disclosed
EP-1633350-A2 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2005009344-A2 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed