SCHEMBL30997472

SCHEMBL30997472

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 4/20 0.41
▸ NPY4R P50391 12/20 0.39
▸ NPY5R Q15761 9/20 0.39
▸ NPY1R P25929 8/20 0.39
▸ NPY2R P49146 6/20 0.39
▸ NPBWR1 P48145 1/20 0.35
▸ TFPI P10646 1/20 0.35
▸ OPRL1 P41146 1/20 0.34

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
SCHEMBL31593280 0.97 NPY4R (0.39) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29590376 0.88 QRFPR (0.42) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29630426 0.88 QRFPR (0.42) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29533810 0.88 NPY4R (0.44) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29355811 0.87 NPY4R (0.41) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL30997463 0.87 QRFPR (0.41) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL31006052 0.87 NPY4R (0.46) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29875551 0.87 C3AR1 (0.40) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL31232443 0.87 NPY5R (0.42) QRFPRNPY4RNPY5RNPY1RNPBWR1
SCHEMBL30862191 0.87 TFPI (0.42) NPY4RNPY5RNPY1RNPY2RTFPI

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-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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