SCHEMBL5500809

SCHEMBL5500809

CC(C)N1CCC(N2CCN(CCCN3CCCCC3)C2=C(C#N)S(C)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
NSD2 O96028 3/20 0.33
EHMT2 Q96KQ7 3/20 0.33
PRMT1 Q99873 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4388559 0.86 HRH3 (0.61) HRH3NSD2EHMT2PRMT1EHMT1
Hydrochloric Acid SCHEMBL4385813 0.85 HRH3 (0.46) HRH3CTSK
SCHEMBL4396105 0.82 HRH3 (0.42) HRH3
SCHEMBL4384562 0.82 HRH3 (0.62) HRH3MAPT
SCHEMBL4389011 0.81 HRH3 (0.56) HRH3NSD2EHMT2PRMT1EHMT1
SCHEMBL4383394 0.79 HRH3 (0.59) HRH3
SCHEMBL4388482 0.77 HRH3 (0.45) HRH3
SCHEMBL4386356 0.77 HRH3 (0.36) HRH3NSD2EHMT2PRMT1EHMT1
SCHEMBL4386358 0.77 HRH3 (0.36) HRH3NSD2EHMT2PRMT1EHMT1
SCHEMBL13788007 0.76 HRH3 (0.46) HRH3MAPT

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed