SCHEMBL29666221

SCHEMBL29666221

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.52
▸ MC4R P32245 2/20 0.49
▸ GHSR Q92847 3/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ NPY1R P25929 2/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY4R P50391 2/20 0.47
▸ KISS1R Q969F8 2/20 0.47
▸ MME P08473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ 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

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
SCHEMBL30118069 1.00 C5AR1 (0.52) C5AR1MC4RGHSRLTA4HNPY1R
SCHEMBL29666297 0.98 C5AR1 (0.52) C5AR1MC4RGHSRLTA4HNPY1R
SCHEMBL31091318 0.97 C5AR1 (0.48) C5AR1MC4R
SCHEMBL29419550 0.95 MC4R (0.52) C5AR1MC4RGHSRKISS1RTUBB4A
SCHEMBL29419493 0.95 MC4R (0.52) C5AR1MC4RGHSRKISS1RTUBB4A
SCHEMBL31555133 0.95 MC4R (0.52) C5AR1MC4RGHSRKISS1RTUBB4A
SCHEMBL29476617 0.94 MC4R (0.50) C5AR1MC4RGHSRNPY1RNPY2R
SCHEMBL29476447 0.94 MC4R (0.50) C5AR1MC4RGHSRLTA4HKISS1R
SCHEMBL29476562 0.94 MC4R (0.50) C5AR1MC4RGHSRNPY1RNPY2R
SCHEMBL29476484 0.94 MC4R (0.50) C5AR1MC4RGHSRLTA4HKISS1R

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-114634554-B Anti-wrinkle cyclic hexapeptide compound and preparation method thereof 浙江湃肽生物股份有限公司 2022-12-06 — — CN disclosed
CN-114634554-A Anti-wrinkle cyclic hexapeptide compound and preparation method thereof 浙江湃肽生物股份有限公司 2022-06-17 — — CN disclosed
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