SCHEMBL4781613

SCHEMBL4781613

CCn1c2ccccc2c2cc(NC(=O)CCN3CCc4ccccc4C3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.76
KDM4E B2RXH2 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
USP2 O75604 2/20 0.63
TAAR1 Q96RJ0 1/20 0.62
ALOX15 P16050 1/20 0.62
PRMT5 O14744 4/20 0.62
WDR77 Q9BQA1 4/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 1/20 0.60
RORC P51449 3/20 0.59
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL4725105 0.86 NPY5R (1.00) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4725755 0.85 NPY5R (0.98) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4727176 0.84 NPY5R (0.80) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4725254 0.84 MAPT (0.85) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4727570 0.84 NPY5R (1.00) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4725128 0.82 NPY5R (0.79) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4725717 0.81 NPY5R (0.78) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4727182 0.80 NPY5R (0.76) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4725633 0.80 NPY5R (0.70) NPY5RKDM4EMEN1KMT2AMAPT
SCHEMBL4730111 0.80 NPY5R (0.75) NPY5RKDM4EMEN1KMT2AMAPT

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