SCHEMBL13845583

SCHEMBL13845583

O=C(N[C@H]1CCN(Cc2ccncc2)C1)c1ccc(CC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 3/20 0.55
DRD4 P21917 3/20 0.51
DRD2 P14416 2/20 0.51
TEAD1 P28347 2/20 0.51
HTR2A P28223 2/20 0.49
PRKAA2 P54646 5/20 0.47
CHRM2 P08172 3/20 0.47
CHRM4 P08173 2/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
CHRM1 P11229 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL649757 0.85 PRKAA2 (0.49) DRD4DRD2TEAD1HTR2APRKAA2
SCHEMBL650342 0.85 PRKAA2 (0.49) DRD4DRD2TEAD1HTR2APRKAA2
SCHEMBL649758 0.85 PRKAA2 (0.49) DRD4DRD2TEAD1HTR2APRKAA2
SCHEMBL12265115 0.82 USP30 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12265085 0.81 CHRM4 (0.53) HIF1AEPAS1DRD4TEAD1PRKAA2
SCHEMBL648104 0.80 SLC6A5 (0.53) DRD4TEAD1PRKAA2PRKAB2PRKAG1
SCHEMBL649469 0.80 PRKAA2 (0.47) HIF1AEPAS1DRD4DRD2TEAD1
SCHEMBL647268 0.80 PRKAA2 (0.53) DRD4DRD2TEAD1HTR2APRKAA2
SCHEMBL647024 0.80 PRKAA2 (0.53) DRD4DRD2TEAD1HTR2APRKAA2
SCHEMBL647025 0.80 PRKAA2 (0.53) DRD4DRD2TEAD1HTR2APRKAA2

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-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed