SCHEMBL9198547

SCHEMBL9198547

CCOC(=O)N1CCC(CC=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CHRM1 P11229 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL30885568 0.90 GAA (0.49) GAAL3MBTL1THRBATMNOS3
SCHEMBL29924072 0.86 LMNA (0.54) GAAL3MBTL1THRBATMNOS3
SCHEMBL13911744 0.85 GAA (0.39) GAAL3MBTL1THRBATMNOS3
SCHEMBL12813803 0.84 RAB9A (0.44) GAAL3MBTL1THRBATMNOS3
SCHEMBL9216783 0.83 GAA (0.53) GAAL3MBTL1THRBATMNOS3
SCHEMBL8434541 0.82 GAA (0.62) GAAL3MBTL1THRBATMNOS3
SCHEMBL4070279 0.81 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL9201177 0.81 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL13351968 0.81 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL1267275 0.80 GAA (0.61) GAAL3MBTL1THRBATMNOS3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780203-A2 Enantioselective alkylation of tricyclic compounds SCHERING CORPORATION (US) 2007-05-02 EP disclosed
CN-1037268-C Antipicornaviral pyridazinamines JANSSEM PHARMACEUTICA N V (BE) 1998-02-04 CN disclosed
EP-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
EP-0398427-B1 Antirhinoviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5112825-A Antirhinoviral heteroamine-substituted pyridazines JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-12 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP disclosed
EP-0398427-A1 Antirhinoviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed