SCHEMBL12464358

SCHEMBL12464358

NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.59
NPY2R P49146 3/20 0.59
NPY4R P50391 3/20 0.59
ECE1 P42892 1/20 0.56

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
SCHEMBL12464476 0.93 MC5R (0.61) NPY1RNPY2RNPY4R
SCHEMBL8896673 0.93 NPY1R (0.55) NPY1RNPY2RNPY4R
SCHEMBL8895453 0.93 NPY1R (0.55) NPY1RNPY2RNPY4R
SCHEMBL8896669 0.91 GHSR (0.55) NPY1RNPY2RNPY4R
SCHEMBL8894510 0.90 IL1RN (0.54) NPY1RNPY2RNPY4RECE1
SCHEMBL8895429 0.90 IL1RN (0.54) NPY1RNPY2RNPY4RECE1
SCHEMBL31722484 0.89 KDM4E (0.62) ECE1
SCHEMBL5558360 0.89 ECE1 (0.69) NPY1RNPY2RNPY4RECE1
SCHEMBL30291268 0.89 ECE1 (0.69) NPY1RNPY2RNPY4RECE1
Hydrochloric Acid SCHEMBL8982603 0.88 KDM4E (0.60) ECE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed