SCHEMBL6733358

SCHEMBL6733358

O=C(O)c1c[nH]c2ccc(OCCCn3cccc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA2 P54646 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
HTT P42858 1/20 0.35
DHODH Q02127 2/20 0.35
TBXAS1 P24557 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6726280 0.84 DHODH (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6726432 0.83 DHODH (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724740 0.82 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6722076 0.81 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6726264 0.81 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6734102 0.80 PRKAG1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6724501 0.80 ALDH1A1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6729681 0.80 PIM1 (0.43) HTTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL6724529 0.79 PIM1 (0.41) HTTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL6728722 0.78 MAPT (0.44) 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