SCHEMBL14409233

SCHEMBL14409233

CCN1CCCc2ccc(O)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.56
DRD2 P14416 9/20 0.56
DRD5 P21918 9/20 0.51
DRD3 P35462 8/20 0.51
DRD4 P21917 6/20 0.51
HRH3 Q9Y5N1 3/20 0.48
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CA9 Q16790 1/20 0.42
PNMT P11086 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL19650303 0.82 HRH3 (0.49) HRH3PNMTTMEM97SIGMAR1
SCHEMBL11474315 0.80 DRD1 (0.82) DRD1DRD2DRD5DRD3DRD4
SCHEMBL14409246 0.80 DRD1 (0.74) DRD1DRD2DRD5DRD3DRD4
SCHEMBL7838710 0.78 SLC6A5 (0.53) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10120338 0.76 HDAC6 (0.57)
SCHEMBL21444625 0.75 DRD1 (0.82) DRD1DRD2DRD5DRD3DRD4
SCHEMBL23395370 0.74 ESR2 (0.49) DRD1DRD2DRD5DRD3DRD4
SCHEMBL6369552 0.73 PNMT (0.55) DRD1DRD2DRD3HRH3PRMT5
SCHEMBL4400467 0.72 CHRM2 (0.61) DRD1DRD2DRD5DRD3DRD4
SCHEMBL8731853 0.72 HRH3 (0.51) DRD1DRD2DRD5DRD3DRD4

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
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed