SCHEMBL4073277

SCHEMBL4073277

c1ccc(CCCNCC2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.64
HTR2A P28223 2/20 0.58
HRH1 P35367 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
MPO P05164 1/20 0.51

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
SCHEMBL25008394 0.95 SIGMAR1 (0.63) SIGMAR1HTR2AHRH1
SCHEMBL8084177 0.91 SIGMAR1 (0.58) SIGMAR1HTR2AHRH1SMN1; SMN2HTR1D
SCHEMBL1967142 0.89 HTR2A (0.56) SIGMAR1HTR2AHRH1MPO
SCHEMBL7982542 0.89 SIGMAR1 (0.55) SIGMAR1HTR2AHRH1SMN1; SMN2HTR1D
SCHEMBL11934865 0.87 SIGMAR1 (0.54) SIGMAR1HTR2AHRH1
SCHEMBL13438744 0.87 SIGMAR1 (0.54) SIGMAR1HTR2AHRH1
SCHEMBL23468503 0.84 MAOA (0.66) SIGMAR1MPO
SCHEMBL10630701 0.83 L3MBTL1 (0.68)
SCHEMBL9909029 0.83 SIGMAR1 (0.49) SIGMAR1HTR2AHRH1SMN1; SMN2HTR1D
SCHEMBL9906703 0.83 SLC6A2 (0.47) SIGMAR1HTR2AHRH1SMN1; SMN2HTR1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed