SCHEMBL30719909

SCHEMBL30719909

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ OPRD1 P41143 1/20 0.56
▸ NPY4R P50391 11/20 0.55
▸ NPY1R P25929 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY2R P49146 4/20 0.55
▸ BACE1 P56817 2/20 0.55
▸ BACE2 Q9Y5Z0 2/20 0.55
▸ ECE1 P42892 1/20 0.51
▸ GLP1R P43220 1/20 0.51
▸ MUS81 Q96NY9 1/20 0.51
▸ EPHA2 P29317 1/20 0.50
▸ VIPR1 P32241 1/20 0.50

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
SCHEMBL30719889 0.99 TFPI (0.57) TFPIOPRD1NPY4RNPY1RNPY5R
SCHEMBL29777861 0.88 TFPI (0.62) TFPIOPRD1NPY4RNPY1RNPY5R
Fluoro[Hydroxy(Phenyl)Phosphoryl]Methyl(Phenyl)Phosphinic Acid SCHEMBL5665088 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RBACE1
Fluoro[Hydroxy(Phenyl)Phosphoryl]Methyl(Phenyl)Phosphinic Acid SCHEMBL5665077 0.88 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30483946 0.88 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30719870 0.88 OPRD1 (0.66) OPRD1BACE1BACE2
SCHEMBL31307284 0.88 TFPI (0.56) TFPIOPRD1NPY4RNPY1RNPY5R
SCHEMBL30538334 0.88 TFPI (0.67) TFPIOPRD1ECE1GLP1RMUS81
SCHEMBL31233596 0.87 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL31419699 0.87 TFPI (0.71) TFPIBACE1BACE2ECE1GLP1R

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-2024003873-A1 SINGLE VARIABLE DOMAIN ANTIBODIES AGAINST TUMOR NECROSIS FACTOR-ALPHA INTREXON ACTOBIOTICS NV D/B/A PRECIGEN ACTOBIO (BE) 2024-01-04 — — WO disclosed
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