SCHEMBL19791184

SCHEMBL19791184

CNC(CCCNC(=N)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 1/20 0.38
▸ NMT2 O60551 2/20 0.37
▸ NMT1 P30419 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ GSTK1 Q9Y2Q3 1/20 0.37
▸ NPY4R P50391 9/20 0.36
▸ NPY5R Q15761 8/20 0.36
▸ NPY1R P25929 7/20 0.36
▸ NPY2R P49146 5/20 0.36
▸ GLO1 Q04760 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ TFPI P10646 1/20 0.35
▸ C3AR1 Q16581 1/20 0.33

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
SCHEMBL19791180 1.00 QRFPR (0.38) QRFPRNMT2NMT1PTGS1GSTK1
SCHEMBL19791191 0.90 TFPI (0.41) QRFPRNMT2NMT1PTGS1GSTK1
SCHEMBL19791333 0.90 TFPI (0.41) QRFPRNMT2NMT1PTGS1GSTK1
SCHEMBL19791181 0.90 QRFPR (0.40) QRFPRNMT2NMT1PTGS1GSTK1
SCHEMBL19791172 0.87 PTGS1 (0.41) QRFPRNMT2NMT1PTGS1GSTK1
SCHEMBL7777201 0.86 EPHX2 (0.39) PTGS1GSTK1NPY4RNPY5RNPY1R
SCHEMBL19085021 0.86 TFPI (0.41) QRFPRNMT2NMT1NPY4RNPY5R
SCHEMBL8500280 0.85 NPY4R (0.37) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL13410388 0.85 NPY4R (0.37) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL29630413 0.85 PTGS1 (0.43) QRFPRPTGS1GSTK1NPY4RNPY5R

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-3272765-A1 PEPTIDE DERIVATIVE FOR REGULATING THYMIC STROMAL LYMPHOID PROTEIN-MEDIATED SIGNALING AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ALLERGY AND ASTHMA DISEASES COMPRISING SAME Korea University Research and Business Foundation, Sejong Campus (KR) 2018-01-24 — — EP disclosed
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