SCHEMBL5795531

SCHEMBL5795531

NC[C@H]1Cc2cccc(-c3ccc(Cl)cc3)c2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.61
PRKAG1 P54619 2/20 0.61
PRKAA2 P54646 2/20 0.61
PRKAA1 Q13131 2/20 0.61
PRKAG3 Q9UGI9 2/20 0.61
PRKAG2 Q9UGJ0 2/20 0.61
PRKAB1 Q9Y478 2/20 0.61
AQP1 P29972 3/20 0.51
HTR7 P34969 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2C P28335 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35
NOS3 P29474 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL5791604 1.00 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4230838 1.00 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4225611 0.89 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219233 0.88 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4222465 0.87 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27703097 0.87 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL5805437 0.87 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23797067 0.85 PRKAB2 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4225489 0.85 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5820032 0.85 PRKAB2 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed