SCHEMBL3903010

SCHEMBL3903010

O=C(O)C1CNc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CDC25B P30305 1/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL3906697 0.87 CDC25B (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19644515 0.84 F12 (0.39) CDC25BF2MAPKAPK2
SCHEMBL28510374 0.83 CHRNB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12227589 0.81 F2 (0.34) CHRNB2CHRNA4F2
SCHEMBL3906901 0.80 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14885415 0.80 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5809094 0.80 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7089442 0.76 HSPA1A (0.45) ALDH1A1MAPKAPK2
SCHEMBL4980558 0.76 CHRNB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3749720 0.75 ALDH1A1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP claimed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP disclosed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed