SCHEMBL6457651

SCHEMBL6457651

COc1cc(Cl)c(-c2c(C)nn3c(N(CCN)C4CCN(Cc5cccnc5)CC4)cc(C)nc23)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.42
CRHR1 P34998 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
GFER P55789 1/20 0.38
HTR4 Q13639 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36
GRM8 O00222 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRM7 Q14831 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
SCHEMBL7043850 0.93 ALDH1A1 (0.45) NPY1RCRHR1ALDH1A1HPGDKDM4E
SCHEMBL1593501 0.86 NPY1R (0.47) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL1594404 0.84 NPY1R (0.49) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL7046358 0.84 ALDH1A1 (0.47) CRHR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1594245 0.82 NPY1R (0.47) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL1593296 0.81 CRHR1 (0.48) NPY1RCRHR1
SCHEMBL6520712 0.79 NPY1R (0.49) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL1593564 0.79 CYP1A2 (0.48) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL1593938 0.78 NPY1R (0.46) NPY1RCRHR1GRM8CYP1A2GRM7
SCHEMBL1594011 0.78 NPY1R (0.68) NPY1RCRHR1ALDH1A1HPGDKDM4E

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