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Sugi Predict / Compounds / SCHEMBL30658196

SCHEMBL30658196

SCHEMBL30658196

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.62
▸ NPY4R P50391 8/20 0.62
▸ NPY5R Q15761 8/20 0.62
▸ NPY1R P25929 6/20 0.62
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ TFPI P10646 2/20 0.59
▸ CALCR P30988 3/20 0.58

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
SCHEMBL30658272 0.93 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29652676 0.91 TFPI (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182776 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182597 0.90 KEAP1 (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31129151 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31222180 0.89 TFPI (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607487 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182759 0.89 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30436596 0.89 MAPK8 (0.65) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182445 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RTFPI

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-11753627-B2 Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 — — US disclosed
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