SCHEMBL8309175

SCHEMBL8309175

[O]CCNCCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
SCN5A Q14524 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM1A O60341 1/20 0.42
LMNA P02545 2/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
ACHE P22303 1/20 0.39
PAOX Q6QHF9 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8309991 0.98 SCN5A (0.46) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL5911217 0.89 HRH3 (0.62) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL8307331 0.87 CARM1 (0.48) HRH3CYP1A2KDM1ACARM1PRMT6
SCHEMBL4381194 0.87 HRH3 (0.59) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL5910693 0.87 HRH3 (0.57) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL8306447 0.85 CARM1 (0.50) HRH3CYP1A2KDM1ACARM1PRMT6
SCHEMBL13661585 0.85 HRH3 (0.56) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL17526233 0.84 HRH3 (0.55) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL17526224 0.84 HRH3 (0.55) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1
SCHEMBL22005759 0.83 HRH3 (0.50) HRH3SCN5ASMN1; SMN2CYP1A2MAPK1

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed