SCHEMBL30463288

SCHEMBL30463288

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.48
QRFPR Q96P65 1/20 0.47
NPY4R P50391 8/20 0.47
NPY1R P25929 6/20 0.47
NPY2R P49146 6/20 0.47
NPY5R Q15761 6/20 0.47
CALCRL Q16602 1/20 0.47
TFPI P10646 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRND Q07001 1/20 0.46

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
SCHEMBL29590999 0.93 GNPAT (0.47) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL29447211 0.91 GNPAT (0.54) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL30692729 0.91 GNPAT (0.54) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL30193249 0.90 NPY4R (0.56) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL31679035 0.90 NPY4R (0.55) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL29994103 0.90 TFPI (0.52) NPY2RTFPI
SCHEMBL31510900 0.89 TFPI (0.58) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL5598751 0.89 NPY4R (0.52) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL5598748 0.89 NPY4R (0.52) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL30974473 0.89 NPY5R (0.54) QRFPRNPY4RNPY1RNPY2RNPY5R

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
CN-116200385-A dsRNA for inhibiting rhizoctonia solani AG4 related genes and application thereof 河北农业大学 2023-06-02 CN disclosed