SCHEMBL5777770

SCHEMBL5777770

CC(=O)N1CCc2cc(/C=C/c3ccc4cc(C#N)ccc4c3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
MAPT P10636 2/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
LRRK2 Q5S007 1/20 0.43
ALK Q9UM73 1/20 0.43
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
HTR1D P28221 3/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NAMPT P43490 4/20 0.38
SPR P35270 1/20 0.37
TRPA1 O75762 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PDE5A O76074 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5777772 1.00 NOTUM (0.45) NOTUMMAPTLCKRETKDR
SCHEMBL5778274 0.88 MAPT (0.45) MAPTDRD2DRD3HTR1DNAMPT
SCHEMBL5778278 0.88 MAPT (0.45) MAPTDRD2DRD3HTR1DNAMPT
SCHEMBL5774304 0.86 ESR2 (0.55) MAPTDRD2DRD3HTR1DNAMPT
SCHEMBL5774300 0.86 ESR2 (0.55) MAPTDRD2DRD3HTR1DNAMPT
SCHEMBL5779442 0.81 SLC6A2 (0.43) NOTUMMAPTLCKRETKDR
SCHEMBL10163702 0.79 NOTUM (0.58) NOTUMMAPTLCKRETKDR
SCHEMBL5779866 0.79 PLAU (0.57) NOTUM
SCHEMBL5779869 0.79 PLAU (0.57) NOTUM
SCHEMBL5776273 0.78 PLAU (0.43) NOTUM

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 4 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-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