SCHEMBL23408816

SCHEMBL23408816

CC(C)CC(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ C3AR1 Q16581 1/20 0.43
▸ NPY4R P50391 8/20 0.42
▸ NPY5R Q15761 7/20 0.42
▸ NPY1R P25929 6/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NOD1 Q9Y239 3/20 0.41
▸ FOLH1 Q04609 2/20 0.39
▸ MME P08473 1/20 0.39
▸ GNPAT O15228 1/20 0.39

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
SCHEMBL28531459 0.90 C3AR1 (0.42) ITGB3ITGA2BC3AR1NPY4RNPY5R
SCHEMBL28531452 0.90 C3AR1 (0.42) ITGB3ITGA2BC3AR1NPY4RNPY5R
SCHEMBL12655514 0.87 ITGB3 (0.42) ITGB3ITGA2BNPY4RNPY5RNPY1R
SCHEMBL9207685 0.86 NPY4R (0.46) ITGB3ITGA2BNPY4RNPY5RNPY1R
SCHEMBL9207694 0.86 NPY4R (0.46) ITGB3ITGA2BNPY4RNPY5RNPY1R
SCHEMBL20539114 0.86 NOD1 (0.47) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL18765407 0.86 NOD1 (0.47) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL2338925 0.85 C3AR1 (0.47) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL2338931 0.85 C3AR1 (0.47) C3AR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL17269322 0.84 C3AR1 (0.42) C3AR1NPY4RNPY5RNPY1RNPY2R

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
US-20210155771-A1 PLASTICIZER AND PLASTIC PRODUCT LARGAN MEDICAL CO., LTD. (TW) 2021-05-27 — — US disclosed
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