SCHEMBL5771908

SCHEMBL5771908

CC(C)(C)OC(=O)N1CCc2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
NR1H2 P55055 2/20 0.47
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
DRD2 P14416 2/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NAMPT P43490 3/20 0.39
ALK Q9UM73 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR1D P28221 1/20 0.38
DRD3 P35462 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL5779442 0.86 SLC6A2 (0.43) DRD2MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL451998 0.85 ESR2 (0.69) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL30548176 0.85 ESR2 (0.69) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL5774304 0.83 ESR2 (0.55) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL5774300 0.83 ESR2 (0.55) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL5779420 0.81 PLAU (0.44) NR1H2GPR119DRD2SLC6A2SLC6A4
SCHEMBL7083279 0.81 SLC6A2 (0.38) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL2416879 0.80 NR1H2 (0.67) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL29586616 0.80 NR1H2 (0.67) ESR2NR1H2DDB1CRBNGPR119
SCHEMBL3695530 0.79 ESR2 (0.61) ESR2NR1H2GPR119DRD2MAPT

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