SCHEMBL13901044

SCHEMBL13901044

CCc1ccc([C@H]2CNCCc3cc(Cl)c(O)cc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 0.72
DRD2 P14416 8/20 0.72
ADCY5 O95622 2/20 0.60
KDM4E B2RXH2 6/20 0.56
DRD5 P21918 5/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
NFKB1 P19838 2/20 0.56
THPO P40225 2/20 0.56
HIF1A Q16665 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ADCY6 O43306 1/20 0.56
ADCY3 O60266 1/20 0.56
ADCY9 O60503 1/20 0.56
ADCY8 P40145 1/20 0.56
ADCY7 P51828 1/20 0.56
ADCY2 Q08462 1/20 0.56

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
SCHEMBL13007204 0.84 DRD1 (1.00) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL10693955 0.82 DRD1 (0.70) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL13901046 0.81 DRD1 (0.71) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL13901048 0.80 DRD1 (0.66) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL13901045 0.79 DRD1 (0.71) DRD1DRD2ADCY5KDM4EDRD5
Bromide SCHEMBL10689985 0.79 DRD1 (0.70) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL29558201 0.79 DRD1 (0.76) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL10690380 0.78 DRD1 (0.71) DRD1DRD2ADCY5KDM4EDRD5
Hydrochloric Acid SCHEMBL10690789 0.78 DRD1 (0.74) DRD1DRD2ADCY5KDM4EDRD5
SCHEMBL11608923 0.78 ADCY5 (0.70) DRD1DRD2ADCY5KDM4EDRD5

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