SCHEMBL8036097

SCHEMBL8036097

COc1cccc2c1OC(C(C)N)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
LDHA P00338 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL8038124 0.80 PARP1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13607727 0.77 MTNR1A (0.43) AADATLDHAMTNR1AMTNR1B
SCHEMBL11344775 0.76 MTNR1A (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13533358 0.76 DRD2 (0.43) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL13799415 0.76 PARP1 (0.51) DRD2DRD3HTR7CHRM2CHRM1
SCHEMBL6047950 0.75 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224918 0.74 HTR7 (0.43) DRD2DRD3HTR7CHRM2CHRM1
SCHEMBL4226542 0.74 PRKAB2 (0.63) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9826077 0.73 KDM4E (0.31)
SCHEMBL5077978 0.72 PRKAB2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed