SCHEMBL21861765

SCHEMBL21861765

C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.36
▸ NPY4R P50391 4/20 0.36
▸ NPY1R P25929 3/20 0.36
▸ C3AR1 Q16581 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPY2R P49146 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ NPFFR1 Q9GZQ6 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH1 P35367 2/20 0.31
▸ KISS1R Q969F8 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ NMT2 O60551 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
SCHEMBL17722924 0.91 NPY5R (0.39) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL21034050 0.91 C3AR1 (0.38) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL18909037 0.90 NPY5R (0.36) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL20889020 0.89 NPY5R (0.36) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL21034051 0.88 NPY5R (0.35) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL20935177 0.88 NPY5R (0.35) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL19681473 0.84 NPY5R (0.42) NPY5RNPY4RNPY1RNPY2RNMT2
SCHEMBL18909079 0.82 NPY5R (0.39) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL17722903 0.82 NPY5R (0.40) NPY5RNPY4RNPY1RC3AR1POLB
SCHEMBL18937746 0.82 NPY5R (0.40) NPY5RNPY4RNPY1RC3AR1POLB

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
WO-2020236792-A1 CD19 BINDING MOLECULES AND USES THEREOF NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
WO-2020052692-A2 BINDING MOLECULES AGAINST CD3 AND USES THEREOF NOVARTIS AG (CH) 2020-03-19 — — WO disclosed
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