SCHEMBL17255752

SCHEMBL17255752

COc1c(Nc2cccc3[nH]ccc23)cccc1OCCNCCO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1B P28222 2/20 0.46
HTR1A P08908 5/20 0.45
SLC6A4 P31645 3/20 0.45
HTR1D P28221 1/20 0.44
RET P07949 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 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
SCHEMBL2975469 0.83 RET (0.47) DRD2DRD4DRD3HTR1BHTR1A
SCHEMBL2986267 0.81 RET (0.45) DRD2DRD4DRD3HTR1BHTR1A
SCHEMBL2982161 0.80 RET (0.54) L3MBTL1HTR1BRET
SCHEMBL17255754 0.77 SRC (0.46) HTR1BHTR1ASLC6A4RET
SCHEMBL9096899 0.73 HTR1A (0.65) TSHRDRD2DRD4DRD3HTR1B
SCHEMBL9132886 0.68 HTR1A (0.48) L3MBTL1DRD2DRD4DRD3HTR1B
SCHEMBL11534872 0.68 ALDH1A1 (0.79) TSHRL3MBTL1DRD2DRD4DRD3
SCHEMBL17255750 0.67 EGFR (0.44)
SCHEMBL10413109 0.67 DHPS (0.47) DRD2DRD4DRD3HTR1BHTR1A
SCHEMBL10591827 0.67 HTR1B (0.58) TSHRDRD2DRD4DRD3HTR1B

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-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed