SCHEMBL28474284

SCHEMBL28474284

N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.52
NPY5R Q15761 8/20 0.52
NPY1R P25929 7/20 0.52
NPY2R P49146 5/20 0.52
CALCRL Q16602 1/20 0.43
KISS1R Q969F8 1/20 0.41
OPRL1 P41146 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40

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
SCHEMBL16273801 1.00 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RCALCRL
SCHEMBL19781292 0.89 CALCRL (0.46) NPY4RNPY5RNPY1RNPY2RCALCRL
SCHEMBL23286123 0.89 CALCRL (0.52) CALCRLITGB1ITGA5
SCHEMBL5549711 0.84 SIRT2 (0.40) CALCRL
SCHEMBL5549718 0.84 SIRT2 (0.40) CALCRL
SCHEMBL5549713 0.84 SIRT2 (0.40) CALCRL
SCHEMBL16266210 0.83 SSTR3 (0.44) NPY4RNPY5RNPY1RNPY2R
SCHEMBL10036458 0.82 NPY4R (0.66) NPY4RNPY5RNPY1RNPY2R
SCHEMBL27058431 0.82 CALCRL (0.55) NPY4RNPY5RNPY1RNPY2RCALCRL
SCHEMBL18797119 0.81 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R

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
CN-112430266-A Anti-muramic acid antibodies and conjugates 基因泰克公司 2021-03-02 CN disclosed
CN-105358573-B Anti-muramic acid antibodies and conjugates 基因泰克公司 2020-10-30 CN disclosed