SCHEMBL29904562

SCHEMBL29904562

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.55
▸ NPY4R P50391 9/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 4/20 0.49
▸ NPY5R Q15761 4/20 0.49
▸ APLNR P35414 1/20 0.46
▸ CD47 Q08722 1/20 0.46
▸ GLP1R P43220 1/20 0.45
▸ SCTR P47872 1/20 0.45
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44

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
SCHEMBL29904555 0.96 NPY4R (0.53) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29904559 0.93 C5AR1 (0.48) C5AR1
SCHEMBL31529444 0.92 NPY4R (0.52) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29972953 0.92 NPY4R (0.49) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30851295 0.92 NPY4R (0.52) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29659733 0.91 C5AR1 (0.53) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29948315 0.91 C5AR1 (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL22375041 0.90 IL23R (0.50) C5AR1
SCHEMBL22374588 0.90 C5AR1 (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL6710592 0.89 NPY4R (0.51) C5AR1NPY4RNPY1RNPY2RNPY5R

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
CN-113717247-B Antibacterial polypeptide and application thereof 哈尔滨吉象隆生物技术有限公司 2022-07-08 — — CN disclosed
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