SCHEMBL6437807

SCHEMBL6437807

Cc1cc(NCCN(c2ncccn2)C2CCNCC2)n2nc(C)c(-c3c(Cl)cc(C#N)cc3Cl)c2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.48
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR1 P34998 1/20 0.39
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL1593551 0.78 NPY1R (0.62) NPY1RALDH1A1MAPTKDM4ENPSR1
SCHEMBL7043079 0.74 NPY1R (0.77) NPY1RALDH1A1KDM4EMAPK1CRHR1
SCHEMBL7044146 0.74 NPY1R (0.51) NPY1RALDH1A1KDM4EMAPK1CRHR1
Hydrochloric Acid SCHEMBL7042696 0.74 NPY1R (0.76) NPY1RALDH1A1KDM4EMAPK1CRHR1
SCHEMBL7157670 0.72 NPY1R (0.84) NPY1RALDH1A1MAPTKDM4ENPSR1
SCHEMBL1594098 0.70 NPY1R (0.65) NPY1RALDH1A1MAPTKDM4ENPSR1
SCHEMBL1593110 0.68 NPY1R (0.68) NPY1RALDH1A1MAPTKDM4ENPSR1
SCHEMBL1593291 0.68 NPY1R (0.47) NPY1RCRHR1
SCHEMBL5729567 0.68 NPY1R (0.79) NPY1RALDH1A1MAPTKDM4ENPSR1
SCHEMBL5729654 0.67 NPY1R (0.78) NPY1RALDH1A1MAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP claimed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO claimed
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