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SCHEMBL30026320

SCHEMBL30026320

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.51
▸ VIPR2 P41587 6/20 0.50
▸ VIPR1 P32241 4/20 0.50
▸ IL23R Q5VWK5 4/20 0.48
▸ GLP1R P43220 3/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY5R Q15761 2/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47

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
SCHEMBL31680257 0.90 C5AR1 (0.58) C5AR1VIPR2VIPR1IL23RGLP1R
SCHEMBL30101001 0.90 VIPR2 (0.47) C5AR1VIPR2VIPR1GLP1RTUBB4A
SCHEMBL29701259 0.88 GLP1R (0.49) VIPR2VIPR1GLP1RNPY4RNPY1R
SCHEMBL29836197 0.88 VIPR2 (0.50) VIPR2VIPR1IL23RGLP1R
SCHEMBL29836488 0.88 VIPR2 (0.50) VIPR2VIPR1IL23RGLP1R
SCHEMBL29836428 0.88 VIPR2 (0.50) VIPR2VIPR1IL23RGLP1R
SCHEMBL29836212 0.88 IL23R (0.51) VIPR2VIPR1IL23RGLP1R
SCHEMBL29649899 0.88 NPY4R (0.52) C5AR1GLP1RNPY4RNPY1RNPY2R
SCHEMBL29540550 0.87 C5AR1 (0.54) C5AR1IL23RGLP1R
SCHEMBL29461991 0.87 C5AR1 (0.54) C5AR1IL23RGLP1R

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-113999296-B Novel antibacterial polypeptide Spgillcin of scylla paramamosain177-189And applications thereof 厦门大学 2022-11-01 — — CN disclosed
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