SCHEMBL7445943

SCHEMBL7445943

Cc1c(OC(=O)N(CCC(=O)O)c2cccc(F)c2)ccc2[nH]c(CNc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.53
KLK1 P06870 3/20 0.42
KLK5 Q9Y337 3/20 0.42

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
SCHEMBL7446576 0.93 F2 (0.52) F2KLK1KLK5
SCHEMBL7453241 0.92 F2 (0.48) F2KLK1KLK5
SCHEMBL7449323 0.91 F2 (0.49) F2KLK1KLK5
SCHEMBL7445168 0.89 F2 (0.51) F2KLK1KLK5
Hydrochloric Acid SCHEMBL7449253 0.88 F2 (0.50) F2KLK1KLK5
SCHEMBL7448557 0.88 F2 (0.42) F2KLK1KLK5
SCHEMBL7446295 0.87 KLK1 (0.44) F2KLK1KLK5
SCHEMBL7450443 0.87 F2 (0.51) F2KLK1KLK5
Hydrochloric Acid SCHEMBL7442296 0.87 F2 (0.44) F2KLK1KLK5
Hydrochloric Acid SCHEMBL7449067 0.87 KLK1 (0.45) F2KLK1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed