SCHEMBL6453039

SCHEMBL6453039

NCC(N)C1CCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
DPP8 Q6V1X1 2/20 0.56
DPP9 Q86TI2 2/20 0.56
DPP7 Q9UHL4 2/20 0.56
KDM4E B2RXH2 5/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL4299041 0.78 KDM4E (0.44) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4299039 0.77 DPP4 (0.47) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL2603213 0.75 ACHE (0.55) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL1146193 0.75 DKK1 (0.55) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL8281002 0.74 DPP4 (0.60) DPP4DPP8DPP9DPP7ALDH1A1
Hydrochloric Acid SCHEMBL8127062 0.74 DKK1 (0.53) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL23005918 0.72 KDM4E (0.49) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4418417 0.72 KDM4E (0.49) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL2070684 0.72 KDM4E (0.56) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL4497905 0.72 KDM4E (0.45) DPP4DPP8DPP9DPP7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499277-A4 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2005-08-31 EP disclosed
EP-1499277-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2005-01-26 EP disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed