SCHEMBL4943584

SCHEMBL4943584

CC(NC(=O)C(O)c1ccc(Cl)cc1)C(=O)Nc1cc(CC(C)c2cc(F)cc(F)c2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
FFAR2 O15552 3/20 0.35
SPPL2A Q8TCT8 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MAPK1 P28482 6/20 0.33
EIF2S1 P05198 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
MDM2 Q00987 1/20 0.32

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 0.94 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4948485 0.92 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4942219 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4946203 0.90 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943615 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4966337 0.90 GLS (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943720 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4956783 0.89 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4939642 0.89 MMP1 (0.40) FFAR2MMP1MMP2MMP9MMP8
SCHEMBL4945254 0.88 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 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