SCHEMBL8122927

SCHEMBL8122927

CNC(=O)Nc1ccc(CN[C@@H](CCCNC(=N)N)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 14/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ NPY4R P50391 2/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL7750543 0.86 NPY1R (0.57) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL5057899 0.86 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL1388313 0.85 NPY1R (0.44) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL4651777 0.84 CNR1 (0.48) NPY1RTLR2NPY4RNPY5R
SCHEMBL8528706 0.84 TMPRSS11D (0.43) NPY1RTLR2NPY4RNPY5RPOLB
SCHEMBL1388761 0.83 NPY1R (0.51) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL4651114 0.81 NPY1R (0.45) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL8612664 0.80 CNR1 (0.44) NPY1RNPY5RMEN1KMT2A
SCHEMBL4650707 0.80 NPY1R (0.43) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL4651789 0.79 TRPV1 (0.43) NPY1RMEN1KMT2APOLB

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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