SCHEMBL29586912

SCHEMBL29586912

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ KISS1R Q969F8 11/20 0.51
▸ GHSR Q92847 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSH P09668 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48

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
SCHEMBL30093066 0.93 C5AR1 (0.53) MC4RC5AR1KISS1RCTSLCTSH
SCHEMBL30093064 0.93 C5AR1 (0.53) MC4RC5AR1KISS1RCTSLCTSH
SCHEMBL31555133 0.92 MC4R (0.52) MC4RC5AR1KISS1RGHSR
SCHEMBL29419550 0.92 MC4R (0.52) MC4RC5AR1KISS1RGHSR
SCHEMBL29419493 0.92 MC4R (0.52) MC4RC5AR1KISS1RGHSR
SCHEMBL30118069 0.91 C5AR1 (0.52) MC4RC5AR1KISS1RGHSR
SCHEMBL29666221 0.91 C5AR1 (0.52) MC4RC5AR1KISS1RGHSR
SCHEMBL29476431 0.91 GHSR (0.53) MC4RC5AR1KISS1RGHSR
SCHEMBL29476447 0.91 MC4R (0.50) MC4RC5AR1KISS1RGHSR
SCHEMBL29476562 0.91 MC4R (0.50) MC4RC5AR1KISS1RGHSR

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-114470152-B Inhibitor for regulating breast cancer proliferation migration based on SREBP-1/PI3K/AKT signal pathway and application thereof 黑龙江中医药大学 2022-09-02 — — CN disclosed
CN-114470152-A Inhibitor for regulating breast cancer proliferation migration based on SREBP-1/PI3K/AKT signal pathway and application thereof 黑龙江中医药大学 2022-05-13 — — CN disclosed
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