SCHEMBL13901045

SCHEMBL13901045

CS(=O)(=O)N(Cc1ccc([C@H]2CNCCc3cc(Cl)c(O)cc32)cc1)C1CCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 0.71
DRD2 P14416 11/20 0.71
DRD5 P21918 7/20 0.71
ADCY5 O95622 2/20 0.47
DRD4 P21917 1/20 0.46
GFER P55789 2/20 0.45
RAD52 P43351 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44
CYP3A4 P08684 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
SCHEMBL13901046 0.85 DRD1 (0.71) DRD1DRD2DRD5ADCY5DRD4
SCHEMBL13901044 0.79 DRD1 (0.72) DRD1DRD2DRD5ADCY5GFER
SCHEMBL10693955 0.74 DRD1 (0.70) DRD1DRD2DRD5ADCY5GFER
SCHEMBL13007204 0.73 DRD1 (1.00) DRD1DRD2DRD5ADCY5GFER
SCHEMBL10747651 0.71 ADCY5 (0.58) DRD1DRD2DRD5ADCY5GFER
Bromide SCHEMBL10689985 0.71 DRD1 (0.70) DRD1DRD2DRD5ADCY5GFER
SCHEMBL28663486 0.70 ADCY5 (0.70) DRD1DRD2DRD5ADCY5GFER
SCHEMBL13901048 0.70 DRD1 (0.66) DRD1DRD2DRD5ADCY5GFER
Bromide SCHEMBL11606204 0.69 ADCY5 (0.69) DRD1DRD2DRD5ADCY5GFER
SCHEMBL10745268 0.69 ADCY5 (0.60) DRD1DRD2DRD5ADCY5GFER

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-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed