SCHEMBL7448557

SCHEMBL7448557

Cc1c(OC(=O)N(CCC(=O)O)c2cccnc2)ccc2[nH]c(CNc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.42
KLK1 P06870 3/20 0.41
KLK5 Q9Y337 3/20 0.41
MRGPRX1 Q96LB2 1/20 0.38
SLC22A2 O15244 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
PROC P04070 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
NQO2 P16083 1/20 0.38
PRSS3 P35030 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38

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
SCHEMBL7453241 0.92 F2 (0.48) F2KLK1KLK5SLC22A2F10
Hydrochloric Acid SCHEMBL7445360 0.92 NQO2 (0.42) F2KLK1KLK5MRGPRX1NQO2
SCHEMBL7445168 0.89 F2 (0.51) F2KLK1KLK5SLC22A2F10
SCHEMBL7446576 0.89 F2 (0.52) F2KLK1KLK5
Hydrochloric Acid SCHEMBL7449253 0.89 F2 (0.50) F2KLK1KLK5SLC22A2F10
SCHEMBL7443452 0.88 TMPRSS15 (0.36) F2
SCHEMBL7446295 0.88 KLK1 (0.44) F2KLK1KLK5SLC22A2F10
SCHEMBL7445943 0.88 F2 (0.53) F2KLK1KLK5
Hydrochloric Acid SCHEMBL7442296 0.87 F2 (0.44) F2KLK1KLK5SLC22A2F10
SCHEMBL7449323 0.87 F2 (0.49) 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