SCHEMBL31127533

SCHEMBL31127533

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 5/20 0.47
▸ NMT1 P30419 5/20 0.38
▸ NMT2 O60551 4/20 0.38
▸ TLR2 O60603 1/20 0.36
▸ OPRL1 P41146 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35

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
SCHEMBL29630598 0.94 QRFPR (0.42) QRFPRNMT1NMT2TLR2NPY1R
SCHEMBL29630536 0.92 QRFPR (0.42) QRFPRNMT1NMT2TLR2NPY1R
SCHEMBL31480014 0.91 QRFPR (0.49) QRFPRNMT1NMT2TLR2OPRL1
SCHEMBL29590856 0.91 QRFPR (0.49) QRFPRNMT1NMT2TLR2OPRL1
SCHEMBL29993120 0.89 QRFPR (0.39) QRFPROPRL1NPY1RNPY2RNPY4R
SCHEMBL29544581 0.89 QRFPR (0.39) QRFPROPRL1NPY1RNPY2RNPY4R
SCHEMBL30997463 0.89 QRFPR (0.41) QRFPRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30193290 0.89 QRFPR (0.45) QRFPRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29875551 0.88 C3AR1 (0.40) QRFPRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29556238 0.88 C3AR1 (0.41) QRFPRNPY1RNPY2RNPY4RNPY5R

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-2024211297-A2 PROTEIN / POLYPEPTIDE SEQUENCING BY EXPANSION (PROSE) OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-10-10 — — WO disclosed
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