SCHEMBL6722255

SCHEMBL6722255

O=C(O)c1c[nH]c2ccc(OCCN3CCOCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA2 P54646 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
KMO O15229 4/20 0.47
DHODH Q02127 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6726264 0.95 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724501 0.90 ALDH1A1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724521 0.88 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726280 0.84 DHODH (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726432 0.83 DHODH (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724740 0.83 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726989 0.82 TEC (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6733766 0.77 MET (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6733358 0.77 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6734102 0.77 PRKAG1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed