SCHEMBL7596845

SCHEMBL7596845

C[C@H](c1ccc(CC(N)=O)cc1)N(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.35
CNR1 P21554 3/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
MDM2 Q00987 1/20 0.34
NPY4R P50391 4/20 0.33
NPY1R P25929 3/20 0.33
NPY2R P49146 3/20 0.33
NPY5R Q15761 3/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSD P07339 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL7600642 0.91 ITGB3 (0.36) CNR2CNR1ITGB3ITGA2BNPY4R
SCHEMBL7595138 0.90 CYP2C9 (0.44) CNR2CNR1MDM2NPY4RNPY1R
SCHEMBL7597057 0.89 NPY4R (0.38) CNR2CNR1MDM2NPY4RNPY1R
SCHEMBL7595802 0.83 TRPM8 (0.41) CNR2CNR1NPY1R
SCHEMBL7595142 0.83 TRPM8 (0.41) CNR2CNR1NPY1R
SCHEMBL7600989 0.81 NPY1R (0.41) NPY4RNPY1RNPY5RMEN1KMT2A
SCHEMBL7598351 0.81 CNR1 (0.42) CNR2CNR1NPY4RNPY1RNPY2R
SCHEMBL7596200 0.81 TRPM8 (0.37) CNR2CNR1NPY1RRAB9ASMN1; SMN2
SCHEMBL28032819 0.81 CNR1 (0.42) CNR2CNR1NPY4RNPY1RNPY2R
SCHEMBL1382274 0.81 CNR1 (0.42) CNR2CNR1NPY4RNPY1RNPY2R

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-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP claimed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed