SCHEMBL26057785

SCHEMBL26057785

CN[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ IL23R Q5VWK5 3/20 0.54
▸ KISS1R Q969F8 3/20 0.54
▸ KEAP1 Q14145 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ GCGR P47871 1/20 0.52
▸ GIPR P48546 1/20 0.52
▸ NPY4R P50391 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 2/20 0.51
▸ NPY5R Q15761 2/20 0.51
▸ VIPR1 P32241 1/20 0.51

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
SCHEMBL30537833 0.93 TFPI (0.61) TFPIIL23RKISS1RKEAP1OPRM1
SCHEMBL30537834 0.93 TFPI (0.60) TFPIIL23RKISS1RKEAP1OPRM1
SCHEMBL30537835 0.92 NPY4R (0.60) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL16508471 0.90 TFPI (0.57) TFPIIL23RKISS1RKEAP1OPRM1
SCHEMBL16508439 0.89 KISS1R (0.55) TFPIKISS1RKEAP1OPRM1OPRD1
SCHEMBL16508068 0.87 NPY4R (0.61) TFPIIL23RKISS1RNPY4RNPY1R
SCHEMBL16508070 0.87 NPY4R (0.61) TFPIIL23RKISS1RNPY4RNPY1R
SCHEMBL16508093 0.86 TFPI (0.63) TFPIIL23RKISS1RKEAP1GLP1R
SCHEMBL26057848 0.85 TFPI (0.56) TFPIIL23RKISS1RKEAP1NPY4R
SCHEMBL16507949 0.85 NPY4R (0.65) TFPIIL23RNPY4RNPY1RNPY2R

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
EP-4233917-A1 ANTI-INFECTIVE CONJUGATE FOR USE IN THE TREATMENT OF ZIKA VIRUS INFECTION Universitat Pompeu Fabra (ES) 2023-08-30 — — EP disclosed
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