SCHEMBL5777212

SCHEMBL5777212

CCC1CN=C(C(C)C)c2ccc(C=Cc3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.35
SLC6A2 P23975 7/20 0.35
SLC6A3 Q01959 5/20 0.35
HTR3A P46098 1/20 0.33
KCNH2 Q12809 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
SCHEMBL5777208 1.00 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5775243 0.80 PLAU (0.46)
SCHEMBL5775238 0.80 PLAU (0.46)
SCHEMBL5780124 0.78 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5780127 0.78 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5778397 0.75 PLAU (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5778396 0.75 PLAU (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5777317 0.73 PLAU (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL5777320 0.73 PLAU (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL7354116 0.73 PLAU (0.30)

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 5 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
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US 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
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed