SCHEMBL11209430

SCHEMBL11209430

ClC1(CCN2CCCCC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR7 P34969 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL23056837 0.78 HRH3 (0.46) HRH3ALDH1A1POLBMAPTPSMB1
SCHEMBL23056803 0.75 HRH3 (0.42) HRH3ALDH1A1POLBMAPTPSMB1
SCHEMBL7088927 0.74 HRH3 (0.42) HRH3ALDH1A1POLBMAPTPSMB1
SCHEMBL15777461 0.71 HRH3 (0.44) HRH3ALDH1A1POLBMAPTPSMB1
SCHEMBL7091537 0.71 HRH3 (0.39) HRH3ALDH1A1POLBMAPTPSMB1
SCHEMBL134912 0.69 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL23828671 0.69 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL5466977 0.69 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL12826 0.69 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL4786815 0.69 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1

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-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed