SCHEMBL4725128

SCHEMBL4725128

CCn1c2ccccc2c2cc(NC(=O)CCN3CCN(c4ccccc4)CC3)ccc21

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.79
MAPT P10636 10/20 0.67
KDM4E B2RXH2 6/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
USP2 O75604 1/20 0.61
RORC P51449 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL4726923 0.92 NPY5R (0.74) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4725105 0.89 NPY5R (1.00) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4727570 0.88 NPY5R (1.00) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4725755 0.88 NPY5R (0.98) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4726597 0.86 NPY5R (0.72) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4725717 0.85 NPY5R (0.78) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4727176 0.84 NPY5R (0.80) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4725254 0.84 MAPT (0.85) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4730111 0.83 NPY5R (0.75) NPY5RMAPTKDM4EMEN1KMT2A
SCHEMBL4725228 0.83 NPY5R (0.74) NPY5RMAPTKDM4EMEN1KMT2A

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