SCHEMBL6724740

SCHEMBL6724740

CN1CCN(CCCOc2ccc3[nH]cc(C(=O)O)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 5/20 0.52
PRKAG1 P54619 5/20 0.52
PRKAA2 P54646 5/20 0.52
PRKAA1 Q13131 5/20 0.52
PRKAG3 Q9UGI9 5/20 0.52
PRKAG2 Q9UGJ0 5/20 0.52
PRKAB1 Q9Y478 5/20 0.52
DHODH Q02127 2/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1F P30939 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL6724521 0.94 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726280 0.91 DHODH (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726432 0.90 DHODH (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726264 0.88 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724501 0.85 ALDH1A1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726653 0.83 KDM4E (0.52) ALDH1A1HRH3KDM4E
SCHEMBL6722255 0.83 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726991 0.82 HTR1A (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6733358 0.82 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6734102 0.79 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