SCHEMBL8310657

SCHEMBL8310657

[NH]CCNCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
KDM1A O60341 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PAOX Q6QHF9 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36

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
SCHEMBL8307197 0.98 HRH3 (0.50) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL5910693 0.89 HRH3 (0.57) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL8308208 0.86 CARM1 (0.50) SCN5AHRH3CARM1PRMT6PRMT8
SCHEMBL5911217 0.86 HRH3 (0.62) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL17526233 0.86 HRH3 (0.55) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL17526224 0.86 HRH3 (0.55) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL8309995 0.84 CARM1 (0.48) SCN5AHRH3CARM1PRMT6PRMT8
SCHEMBL4381194 0.84 HRH3 (0.59) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL8309186 0.83 ACE2 (0.50) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL13661585 0.82 HRH3 (0.56) SCN5AHRH3SMN1; SMN2LMNACARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed