SCHEMBL5778140

SCHEMBL5778140

CC(C)C1c2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2CCN1CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.50
PLG P00747 2/20 0.50
PLAT P00750 2/20 0.50
KLK1 P06870 2/20 0.50
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ASIC3 Q9UHC3 1/20 0.40
OPRD1 P41143 2/20 0.38
KDM2B Q8NHM5 4/20 0.36
DRD2 P14416 6/20 0.36
DRD3 P35462 5/20 0.36
HRH3 Q9Y5N1 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL5776998 0.89 PLAU (0.50) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5777688 0.87 PLAU (0.52) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5776360 0.86 PLAU (0.66) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5775015 0.86 PLAU (0.47) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5777909 0.86 PLAU (0.47) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5779436 0.83 PLAU (0.52) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5775596 0.81 PLAU (0.76) PLAUPLGPLATKLK1ASIC3
SCHEMBL5778336 0.80 PLAU (0.51) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5778869 0.78 PLAU (0.55) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5775560 0.76 PLAU (0.55) PLAUPLGPLATKLK1SLC6A2

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-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed