SCHEMBL31475683

SCHEMBL31475683

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.55
▸ NMBR P28336 2/20 0.53
▸ GRPR P30550 2/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ TACR1 P25103 2/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSH P09668 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 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
SCHEMBL31475698 0.95 GRPR (0.52) CXCR4NMBRGRPRIL23RCTSL
SCHEMBL31475697 0.90 NMBR (0.60) CXCR4NMBRGRPRCTSLCTSH
SCHEMBL29945131 0.87 NMBR (0.62) CXCR4NMBRGRPRCTSLCTSH
SCHEMBL31725226 0.87 NMBR (0.60) CXCR4NMBRGRPRCTSLCTSH
SCHEMBL30460317 0.86 CTSL (0.59) CXCR4NMBRGRPRCTSLCTSH
SCHEMBL31475686 0.85 CTSL (0.59) NMBRGRPRCTSLCTSHCTSS
SCHEMBL31475687 0.84 CTSL (0.66) CXCR4NMBRGRPRNPY1RNPY2R
SCHEMBL18116804 0.83 NTSR2 (0.54) CXCR4NTSR2NTSR1SORT1TACR1
SCHEMBL20493787 0.83 CXCR4 (0.64) CXCR4NMBRGRPRNPY1RNPY2R
SCHEMBL18642508 0.83 CXCR4 (0.64) CXCR4NMBRGRPRNPY1RNPY2R

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-20250129126-A1 LONG-LASTING HEPATITIS VIRUS ENTRY INHIBITOR Chengdu AODA Biotechnology Co., Ltd (CN) 2025-04-24 — — US disclosed
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