SCHEMBL5402145

SCHEMBL5402145

O=C1NC(=O)C2c3ccccc3-c3ccccc3C12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
CACNB4 O00305 3/20 0.43
CACNA1A O00555 3/20 0.43
CACNA1G O43497 3/20 0.43
CACNG3 O60359 3/20 0.43
CACNA1F O60840 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNB3 P54284 3/20 0.43
CACNA2D1 P54289 3/20 0.43
CACNG7 P62955 3/20 0.43
CACNA1B Q00975 3/20 0.43
CACNA1D Q01668 3/20 0.43
CACNB1 Q02641 3/20 0.43
CACNG1 Q06432 3/20 0.43
CACNB2 Q08289 3/20 0.43
CACNA1S Q13698 3/20 0.43
CACNA1C Q13936 3/20 0.43
CACNA1E Q15878 3/20 0.43
CACNA2D4 Q7Z3S7 3/20 0.43
CACNA2D3 Q8IZS8 3/20 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
SCHEMBL9899738 0.76 IDO1 (0.53) GSK3BALDH1A1
SCHEMBL524603 0.76 GPR3 (0.50) CYP1A2MAPK1GPR3HTR2AHDAC3
SCHEMBL29950614 0.76 GPR3 (0.50) CYP1A2MAPK1GPR3HTR2AHDAC3
SCHEMBL5394004 0.73 CACNB4 (0.69) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL11859432 0.73 PARP1 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL6903914 0.72 MAPK1 (0.67) CYP1A2MAPK1NCOR2MEN1CDC25B
SCHEMBL15449470 0.72 MEN1 (0.46) GSK3BCYP1A2MAPK1NCOR2MEN1
SCHEMBL12474357 0.70 SMN1; SMN2 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL10761977 0.68 CACNB4 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL9528121 0.68 CACNB4 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed