SCHEMBL7600989

SCHEMBL7600989

C[C@H](c1ccc(CNC(N)=O)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.41
NPY4R P50391 2/20 0.41
NPY5R Q15761 2/20 0.41
TPSAB1 Q15661 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.35
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35

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
SCHEMBL7595138 0.92 CYP2C9 (0.44) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL7595802 0.91 TRPM8 (0.41) NPY1RTRPM8
SCHEMBL7595142 0.91 TRPM8 (0.41) NPY1RTRPM8
SCHEMBL7600642 0.90 ITGB3 (0.36) NPY1RNPY4RNPY5RMEN1KMT2A
SCHEMBL7598351 0.88 CNR1 (0.42) NPY1RNPY4RNPY5RTRPM8
SCHEMBL1382274 0.88 CNR1 (0.42) NPY1RNPY4RNPY5RTRPM8
SCHEMBL28032819 0.88 CNR1 (0.42) NPY1RNPY4RNPY5RTRPM8
SCHEMBL7596200 0.88 TRPM8 (0.37) NPY1RTRPM8
SCHEMBL7597379 0.87 CNR1 (0.43) MEN1KMT2ATRPM8
SCHEMBL7597777 0.87 CNR1 (0.43) MEN1KMT2ATRPM8

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