SCHEMBL27697394

SCHEMBL27697394

O=COCCc1cc2cc(F)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAO P14920 1/20 0.42
FLT3 P36888 3/20 0.38
IDO1 P14902 5/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
GHSR Q92847 1/20 0.37
TDO2 P48775 2/20 0.37

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
SCHEMBL28658782 0.88 DAO (0.42) KDM4EDAOFLT3IDO1NR3C1
SCHEMBL27613737 0.82 LOXL2 (0.54) PCSK9KDM4EALDH1A1LMNADAO
SCHEMBL28072238 0.82 LOXL2 (0.54) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL27648957 0.82 CYP2A6 (0.42) KDM4EALDH1A1HPGDCYP2C19TDP1
SCHEMBL27650372 0.82 CYP19A1 (0.39) FLT3IDO1TDO2MTNR1AMTNR1B
SCHEMBL28038999 0.82 NR3C1 (0.39) KDM4ENR3C1MTNR1AMTNR1B
SCHEMBL27488329 0.80 LOXL2 (0.50) MTNR1AMTNR1B
SCHEMBL28672705 0.80 LOXL2 (0.58) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL27597896 0.80 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL28291609 0.80 MTNR1A (0.37) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379041-B Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole structural element, their preparation and their therapeutic use SANOFI AVENTIS 2012-08-29 CN disclosed
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 CN disclosed
CN-101115718-B N- (heteroaryl) -1H-indole-2-carboxamide derivatives and their use for the preparation of a medicament for the prevention or treatment of diseases related to the capsaicin TRPV1 receptor SANOFI AVENTIS 2011-06-08 CN disclosed
CN-102007100-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-04-06 CN disclosed
CN-101379041-A Tricyclic N-heteroaryl-amide derivatives containing benzimidazole structural units, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-03-04 CN disclosed
CN-101115718-A N- (heteroaryl) -1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI AVENTIS (FR) 2008-01-30 CN disclosed
CN-101010297-A N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS (FR) 2007-08-01 CN disclosed