SCHEMBL5791145

SCHEMBL5791145

CCCCN(C)c1ccc2nc(-c3ccccc3OC)oc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1R P00736 3/20 0.58
KLK7 P49862 10/20 0.58
KLK14 Q9P0G3 10/20 0.58
KLK5 Q9Y337 10/20 0.58
CTSG P08311 8/20 0.58
PRSS1 P07477 1/20 0.53
ELANE P08246 3/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTRC Q99895 2/20 0.47
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NTSR1 P30989 1/20 0.41

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
SCHEMBL5793545 0.77 C1R (0.76) C1RKLK7KLK14KLK5CTSG
SCHEMBL5790698 0.76 C1R (0.72) C1RKLK7KLK14KLK5CTSG
SCHEMBL692226 0.75 C1R (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL30366271 0.75 C1R (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL18353427 0.73 KLK7 (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL914093 0.72 C1R (0.66) C1RKLK7KLK14KLK5CTSG
SCHEMBL5387023 0.72 C1R (0.66) C1RKLK7KLK14KLK5CTSG
SCHEMBL5794442 0.72 ELANE (0.71) C1RKLK7KLK14KLK5CTSG
SCHEMBL914380 0.72 C1R (0.70) C1RKLK7KLK14KLK5CTSG
SCHEMBL18352894 0.70 KLK7 (1.00) C1RKLK7KLK14KLK5CTSG

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed