SCHEMBL9810147

SCHEMBL9810147

NCCC(N)CNC1CCCCCCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.35
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC2A1 P11166 1/20 0.33
CXCR4 P61073 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GMNN O75496 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL3585774 1.00 KDM4E (0.50) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL2801217 0.83 KDM4E (0.54) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL11437981 0.82 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL29100048 0.81 KDM4E (0.50) KDM4EANPEPERAP2SMN1; SMN2HTT
Formic Acid SCHEMBL3582950 0.80 ANPEP (0.46) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL28080703 0.78 KDM4E (0.52) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL18230768 0.73 ANPEP (0.39) KDM4EANPEPERAP2SMN1; SMN2EPHX1
SCHEMBL31075478 0.73 ANPEP (0.39) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL1443685 0.72 KDM4E (0.56) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL3154036 0.72 KDM4E (0.68) KDM4EANPEPERAP2SMN1; SMN2HTT

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-0424385-A1 LIPOPHILIC POLYAMINES USEFUL FOR TREATING HYPERCHOLESTEROLEMIA THE UPJOHN COMPANY (US) 1991-05-02 EP claimed
WO-1989008098-A2 LIPOPHILIC POLYAMINES USEFUL FOR TREATING HYPERCHOLESTEROLEMIA THE UPJOHN COMPANY (US) 1989-09-08 WO claimed