SCHEMBL29666235

SCHEMBL29666235

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.52
▸ NPBWR1 P48145 2/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ GLP1R P43220 3/20 0.50
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 1/20 0.49
▸ TUBB6 Q9BUF5 1/20 0.49
▸ TUBB2B Q9BVA1 1/20 0.49
▸ TUBB1 Q9H4B7 1/20 0.49
▸ GRPR P30550 2/20 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
SCHEMBL29666143 0.98 KISS1R (0.54) KISS1RNPBWR1C5AR1GLP1RTUBB4A
SCHEMBL30615765 0.94 KISS1R (0.57) KISS1RNPBWR1GRPR
SCHEMBL31021142 0.93 KISS1R (0.57) KISS1RNPBWR1GLP1RTUBB4ATUBB
SCHEMBL30615764 0.92 KISS1R (0.55) KISS1RGHSR
SCHEMBL29666297 0.92 C5AR1 (0.52) C5AR1GHSR
SCHEMBL31021132 0.92 KISS1R (0.57) KISS1RNPBWR1GLP1RTUBB4ATUBB
SCHEMBL30045152 0.92 KISS1R (0.58) KISS1RNPBWR1GLP1RTUBB4ATUBB
SCHEMBL29862261 0.91 KISS1R (0.55) KISS1RNPBWR1
SCHEMBL29862201 0.91 KISS1R (0.55) KISS1RNPBWR1
SCHEMBL29666218 0.91 GHSR (0.55) GHSR

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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