SCHEMBL22828548

SCHEMBL22828548

C=C[C@H](NC(=O)[C@H](CNC)NC)C(=O)N[C@@H](CCCNC(N)=O)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.34
NPY4R P50391 5/20 0.31
NPY1R P25929 3/20 0.31
NPY2R P49146 2/20 0.30
NPY5R Q15761 2/20 0.30
C3AR1 Q16581 1/20 0.30
GNPAT O15228 1/20 0.30

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
SCHEMBL22790598 0.85 NPY5R (0.36) SIRT5NPY4RNPY1RNPY2RNPY5R
SCHEMBL22788836 0.83 FURIN (0.36) SIRT5C3AR1
SCHEMBL21781921 0.81 SIRT5 (0.37) SIRT5NPY4RNPY1RNPY2RNPY5R
SCHEMBL22788849 0.80 C3AR1 (0.36) SIRT5C3AR1
SCHEMBL22708835 0.77 CACNA1B (0.45) SIRT5NPY4RNPY1RNPY2RNPY5R
SCHEMBL10441955 0.75 C3AR1 (0.38) SIRT5C3AR1
SCHEMBL15691795 0.75 C3AR1 (0.38) SIRT5C3AR1
SCHEMBL15315075 0.75 C3AR1 (0.38) SIRT5C3AR1
SCHEMBL21103049 0.75 SIRT5 (0.38) SIRT5NPY4RNPY1RNPY2RNPY5R
SCHEMBL21781952 0.75 GNPAT (0.35) SIRT5GNPAT

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
WO-2020257235-A1 1-(4-(AMINOMETHYL)BENZYL)-2-BUTYL-2H-PYRAZOLO[3,4-C]QUINOLIN-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR) 7/8 AGONISTS, AS WELL AS ANTIBODY DRUG CONJUGATES THEREOF FOR USE IN CANCER THERAPY AND DIAGNOSIS SUTRO BIOPHARMA, INC. (US) 2020-12-24 WO disclosed