SCHEMBL4726596

SCHEMBL4726596

CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 1.00
RORC P51449 3/20 0.72
MAPT P10636 5/20 0.69
KDM4E B2RXH2 4/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.61

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
SCHEMBL4728842 0.91 NPY5R (0.83) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL6169562 0.89 NPY5R (1.00) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL7963351 0.89 NPY5R (1.00) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL4728615 0.88 NPY5R (0.78) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL4725265 0.84 NPY5R (0.72) NPY5RMAPTKDM4ELMNAMEN1
SCHEMBL4725180 0.83 NPY5R (0.71) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL14199692 0.83 MAPT (0.82) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL7977234 0.81 NPY5R (0.71) NPY5RMAPTKDM4ELMNAMEN1
SCHEMBL4730104 0.81 NPY5R (0.67) NPY5RRORCMAPTKDM4ELMNA
SCHEMBL4863449 0.81 MAPT (0.79) NPY5RRORCMAPTKDM4ELMNA

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed