SCHEMBL5776482

SCHEMBL5776482

CC1c2cc(CO)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
KMT2A Q03164 3/20 0.43
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RXRA P19793 1/20 0.40
NR1H3 Q13133 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
GHSR Q92847 8/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 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
SCHEMBL18617674 0.91 GHSR (0.43) NR1H2KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL24528888 0.86 NR1H2 (0.44) NR1H2KMT2AESR2SMN1; SMN2LMNA
SCHEMBL3607650 0.86 GHSR (0.44) NR1H2ESR2RXRANR1H3GHSR
SCHEMBL24528894 0.85 NR1H2 (0.40) NR1H2KMT2AESR2SMN1; SMN2LMNA
SCHEMBL3601158 0.84 GHSR (0.43) NR1H2ESR2GHSRNPC1RAB9A
SCHEMBL21470623 0.84 ESR2 (0.56) NR1H2KMT2AESR2SMN1; SMN2GHSR
SCHEMBL21470624 0.84 ESR2 (0.56) NR1H2KMT2AESR2SMN1; SMN2GHSR
SCHEMBL24528893 0.84 HRH3 (0.44) NR1H2KMT2AESR2SMN1; SMN2LMNA
SCHEMBL24528815 0.83 NR1H2 (0.45) NR1H2KMT2AESR2SMN1; SMN2LMNA
SCHEMBL21235427 0.83 ESR2 (0.46) NR1H2KMT2AESR2SMN1; SMN2LMNA

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