SCHEMBL8307200

SCHEMBL8307200

NCCNCCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.61
HRH3 Q9Y5N1 1/20 0.52
SCN5A Q14524 2/20 0.50
CA12 O43570 3/20 0.46
CA6 P23280 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA5A P35218 2/20 0.46
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8310662 0.98 ACE2 (0.64) ACE2HRH3SCN5ACA12CA6
SCHEMBL15295964 0.94 ACE2 (0.54) ACE2HRH3SCN5ACA12CA6
SCHEMBL4361290 0.94 ACE2 (0.54) ACE2HRH3SCN5ACA12CA6
SCHEMBL6510779 0.94 ACE2 (0.54) ACE2HRH3SCN5ACA12CA6
SCHEMBL6506342 0.94 ACE2 (0.54) ACE2HRH3SCN5ACA12CA6
SCHEMBL22899785 0.93 ACE2 (0.64) ACE2HRH3SCN5ACA12CA6
SCHEMBL10939162 0.91 ACE2 (0.56) ACE2HRH3SCN5ACA12CA6
SCHEMBL5911217 0.91 HRH3 (0.62) ACE2HRH3SCN5ACA12CA9
SCHEMBL10904240 0.89 ACE2 (0.78) ACE2HRH3CA12CA6CA7
SCHEMBL239132 0.89 ACE2 (0.78) ACE2HRH3CA12CA6CA7

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed