SCHEMBL7405753

SCHEMBL7405753

COc1cccc(OCC2CC2)c1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RIPK1 Q13546 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13936012 0.85 NFKB1 (0.45) PDE4BPDE4APDE4CPDE4DRIPK1
SCHEMBL4516687 0.85 MAOB (0.55) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL4520573 0.84 MAOB (0.49) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4946009 0.83 MAOB (0.50) CA9L3MBTL1SMN1; SMN2
SCHEMBL9078297 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL17212054 0.80 MAPT (0.51) SMN1; SMN2POLB
SCHEMBL7451474 0.80 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL7451477 0.80 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL598460 0.80 CA9 (0.68) CA12CA1CA2CA7CA9
SCHEMBL20207066 0.78 RIPK1 (0.40) PDE4BPDE4APDE4CPDE4DRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed
US-5561234-A EXHIBIT HIGH AFFINITY FOR THE NEUROTENSIN RECEPTOR SANOFI (FR) 1996-10-01 US disclosed
EP-0695747-A1 Derivatives of substituted N-oxide 1-(7-chloroquinolin-4-yl)pyrozole-3-carboxamides as ligand of the neurotensin receptor SANOFI (FR) 1996-02-07 EP disclosed