SCHEMBL5776251

SCHEMBL5776251

CCC1CN(C(C)=O)Cc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
NAMPT P43490 9/20 0.37
KDM2B Q8NHM5 6/20 0.35
KDM1A O60341 3/20 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
SCHEMBL5779179 0.92 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NAMPTKDM2B
SCHEMBL7083279 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NAMPTKDM2B
SCHEMBL5777574 0.85 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3KDM2B
SCHEMBL5779408 0.82 PLAU (0.52)
SCHEMBL5775943 0.79 DRD2 (0.46) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL5779442 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL5777533 0.72 HDAC1 (0.41) NAMPTKDM2B
SCHEMBL5777531 0.72 HDAC1 (0.41) NAMPTKDM2B
SCHEMBL5778336 0.71 PLAU (0.51) SLC6A2SLC6A4SLC6A3KDM2B
SCHEMBL5771908 0.69 ESR2 (0.53) SLC6A2SLC6A4SLC6A3NAMPT

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