SCHEMBL7850376

SCHEMBL7850376

C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.49
NPY1R P25929 9/20 0.49
NPY5R Q15761 8/20 0.49
NPY2R P49146 5/20 0.49
KISS1R Q969F8 3/20 0.43
FCER2 P06734 1/20 0.42

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
SCHEMBL7850373 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7859111 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7859109 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
Trifluoroacetic Acid SCHEMBL7857997 0.96 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
Trifluoroacetic Acid SCHEMBL7857921 0.96 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7857092 0.93 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7857097 0.93 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKISS1R
Pabetan SCHEMBL4546522 0.89 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
Pabetan SCHEMBL21571465 0.89 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
Pabetan SCHEMBL14928984 0.89 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R

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
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed