SCHEMBL6688047

SCHEMBL6688047

CCCn1nnc2cc(C(=O)O)ccc21.O=C(O)c1ccc2c(c1)nnn2C1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.77
MAPT P10636 2/20 0.55
RXFP1 Q9HBX9 3/20 0.53
TP53 P04637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6688059 0.90 HCAR3 (0.60) HCAR3MAPTRXFP1TP53
SCHEMBL6044076 0.88 HCAR3 (1.00) HCAR3MAPTRXFP1TP53L3MBTL1
SCHEMBL6044131 0.86 HCAR3 (1.00) HCAR3MAPTRXFP1TP53L3MBTL1
SCHEMBL6044508 0.85 HCAR3 (1.00) HCAR3
SCHEMBL6044013 0.84 HCAR3 (1.00) HCAR3MAPTRXFP1TP53L3MBTL1
SCHEMBL6043957 0.81 HCAR3 (1.00) HCAR3MAPTRXFP1TP53HSD17B10
SCHEMBL20164932 0.78 HCAR3 (0.64) HCAR3HSD17B10
SCHEMBL6044071 0.78 HCAR3 (1.00) HCAR3
SCHEMBL27273144 0.77 HCAR3 (0.78) HCAR3MAPTRXFP1TP53HSD17B10
SCHEMBL6044256 0.77 HCAR3 (1.00) HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO claimed