SCHEMBL6162101

SCHEMBL6162101

CC(c1ccccc1)C(NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.56
CASP1 P29466 1/20 0.52
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP8 Q14790 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PDPK1 O15530 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FLT3 P36888 1/20 0.50
ALB P02768 1/20 0.49
IL2 P60568 1/20 0.49
CYP51A1 Q16850 1/20 0.48

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
SCHEMBL6161642 0.86 PYGL (0.61) PYGL
SCHEMBL17149882 0.86 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149666 0.86 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149890 0.86 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL27462593 0.82 KDM4E (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL13761503 0.80 MLLT1 (0.61) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149653 0.80 PYGL (0.53) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL6345409 0.80 PYGL (0.65) PYGLCASP1CASP3CASP7CASP8
SCHEMBL6353073 0.80 PYGL (0.65) PYGLCASP1CASP3CASP7CASP8
SCHEMBL14071695 0.79 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed