SCHEMBL14401650

SCHEMBL14401650

N#CC(C#N)=C1N(CCCN2CCC(=O)CC2)CCN1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
TP53 P04637 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4388628 0.87 HRH3 (0.65) HRH3ALDH1A1
Hydrochloric Acid SCHEMBL4391289 0.86 HRH3 (0.64) HRH3ALDH1A1
SCHEMBL14401651 0.85 HRH3 (0.49) HRH3TP53ALDH1A1
SCHEMBL4392329 0.85 HRH3 (0.50) HRH3ALDH1A1
SCHEMBL4388482 0.84 HRH3 (0.45) HRH3
Hydrochloric Acid SCHEMBL4393468 0.81 HRH3 (0.42) HRH3TP53
SCHEMBL4396050 0.77 HRH3 (0.61) HRH3
SCHEMBL4384351 0.74 HRH3 (0.67) HRH3
Hydrochloric Acid SCHEMBL4385813 0.74 HRH3 (0.46) HRH3TP53
SCHEMBL4389793 0.74 HRH3 (0.65) HRH3

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