SCHEMBL14282916

SCHEMBL14282916

Oc1ccc(-c2c3c(nc4ccnn24)COC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PDE4A P27815 10/20 0.34
PDE4B Q07343 10/20 0.34
PDE4C Q08493 10/20 0.34
PDE4D Q08499 10/20 0.34
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
DPP4 P27487 1/20 0.32
USP7 Q93009 1/20 0.31

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
SCHEMBL4955856 0.83 HTR2C (0.40) CCNE1CDK2PDE4APDE4BPDE4C
SCHEMBL4955065 0.81 HTR2C (0.40) CCNE1CDK2PDE4APDE4BPDE4C
SCHEMBL4955385 0.80 HTR2C (0.41) CCNE1CDK2PDE4APDE4BPDE4C
SCHEMBL4958235 0.78 CYP1A2 (0.39) HTR2CHTR2AHTR2B
SCHEMBL4958797 0.73 PDE10A (0.42) CDK2HTR2CHTR2AHTR2BCCNT1
SCHEMBL4955710 0.70 HRH3 (0.51)
SCHEMBL4953120 0.67 HTR2C (0.36) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL4953186 0.64 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL4954460 0.64 WDR5 (0.48)
SCHEMBL4958926 0.61 HTR2C (0.46) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed