SCHEMBL30523240

SCHEMBL30523240

NCCCC[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.57
▸ ERAP2 Q6P179 3/20 0.57
▸ ACE P12821 2/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.51
▸ OPRK1 P41145 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ CPA2 P48052 1/20 0.49
▸ CPA4 Q9UI42 1/20 0.49
▸ GNPAT O15228 1/20 0.49
▸ MMP2 P08253 1/20 0.49

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
SCHEMBL30565147 0.93 ERAP2 (0.51) LNPEPERAP2ACENPY1RNPY2R
SCHEMBL30523241 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL30591078 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL31474739 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL30712028 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL29462359 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL31347785 0.93 ERAP2 (0.60) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL30090915 0.92 LNPEP (0.64) LNPEPERAP2NPY1RNPY2RNPY4R
SCHEMBL29641060 0.92 NPY1R (0.58) LNPEPERAP2OPRK1NPY1RNPY2R
SCHEMBL30931517 0.90 LNPEP (0.62) LNPEPERAP2OPRK1NPY1RNPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN claimed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN disclosed
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