SCHEMBL7216729

SCHEMBL7216729

Fc1ccc(C([CH]CCN2CCCC2)c2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
SLC6A3 Q01959 1/20 0.44
LTA4H P09960 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK14 Q16539 4/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
SCN5A Q14524 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRCP P42785 1/20 0.39

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
SCHEMBL7217023 0.99 ACHE (0.49) ACHESLC6A3LTA4HTDP1L3MBTL1
SCHEMBL7220239 0.88 ACHE (0.52) ACHESLC6A3CYP3A4MAPK14MAPK13
SCHEMBL7216865 0.86 ACHE (0.43) ACHESLC6A3LTA4HTDP1L3MBTL1
SCHEMBL7220974 0.76 DPP4 (0.38) SLC6A3LTA4HMAPK14MAPK13MAPK12
SCHEMBL7216927 0.74 KDM4E (0.49) ACHESLC6A3CYP3A4MAPK14MAPK13
SCHEMBL7221098 0.72 TAAR1 (0.39) SLC6A3CYP3A4MAPK14MAPK13MAPK12
SCHEMBL7216749 0.72 LOXL2 (0.38) SLC6A3LTA4HMAPK14
SCHEMBL7220444 0.72 PRCP (0.41) SLC6A3NPSR1PRCP
SCHEMBL7214547 0.70 MAOB (0.39) SLC6A3CYP3A4LMNANPSR1PRCP
SCHEMBL7215286 0.70 KMT2A (0.46) NPSR1PRCP

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
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed