SCHEMBL7146765

SCHEMBL7146765

Cc1nc(N2CCCC2)c2ccc(-c3ccc(CC=O)s3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY5R Q15761 12/20 0.43
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP1 P22413 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL7140923 0.83 NCF1 (0.46) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5408413 0.82 MEN1 (0.46) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL7147827 0.80 MEN1 (0.49) MEN1KMT2ANPY5REGLN1
SCHEMBL5397682 0.74 NPY5R (0.58) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5419215 0.71 NPY5R (0.61) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5405088 0.71 HRH4 (0.64) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5406183 0.70 MEN1 (0.53) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5404393 0.70 MEN1 (0.53) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL5402310 0.69 HRH4 (0.62) MEN1KMT2ANPY5RENPP1KDM4E
SCHEMBL22911968 0.69 MEN1 (0.51) MEN1KMT2ANPY5RMAPK1HSD17B10

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-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed