SCHEMBL6565360

SCHEMBL6565360

CCc1ccc(C(=O)N(CCC(=O)O)c2ccccn2)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.59
NQO2 P16083 2/20 0.59
SLC22A2 O15244 1/20 0.59
F10 P00742 1/20 0.59
PLG P00747 1/20 0.59
PLAT P00750 1/20 0.59
PROC P04070 1/20 0.59
HPN P05981 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
SLC47A2 Q86VL8 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6564395 0.91 NQO2 (0.63) F2NQO2SLC22A2F10PLG
SCHEMBL6562343 0.86 F2 (0.54) F2NQO2SLC22A2F10PLG
SCHEMBL6563517 0.80 F2 (0.45) F2NQO2SLC22A2F10PLG
SCHEMBL6563708 0.79 NQO2 (0.50) F2NQO2SLC22A2F10PLG
SCHEMBL6562387 0.79 NQO2 (0.51) F2NQO2SLC22A2F10PLG
SCHEMBL6781928 0.75 F2 (0.83) F2NQO2SLC22A2F10PLG
SCHEMBL6561967 0.75 F2 (0.42) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL3573 0.74 F2 (1.00) F2NQO2SLC22A2F10PLG
SCHEMBL15498525 0.74 F2 (0.61) F2NQO2SLC22A2F10PLG
Dabigatran SCHEMBL30038681 0.74 F2 (1.00) F2NQO2SLC22A2F10PLG

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed