SCHEMBL31165840

SCHEMBL31165840

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ CTSC P53634 1/20 0.54
▸ ECE1 P42892 5/20 0.53
▸ KISS1R Q969F8 4/20 0.52
▸ ERAP2 Q6P179 1/20 0.51
▸ GHSR Q92847 1/20 0.51
▸ MC4R P32245 2/20 0.50
▸ SIRT5 Q9NXA8 1/20 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
SCHEMBL31165849 0.98 ACE (0.56) ACECTSCECE1KISS1RERAP2
SCHEMBL30092954 0.97 KISS1R (0.52) ACECTSCECE1KISS1R
SCHEMBL30092926 0.97 ACE (0.51) ACECTSCECE1KISS1RERAP2
SCHEMBL30092902 0.97 KISS1R (0.52) ACECTSCECE1KISS1R
SCHEMBL30302924 0.96 IL23R (0.51) ACECTSCECE1KISS1RGHSR
SCHEMBL30093103 0.96 IL23R (0.51) ACECTSCECE1KISS1RGHSR
SCHEMBL29732261 0.96 IL23R (0.51) ACECTSCECE1KISS1RGHSR
SCHEMBL31286296 0.96 GHSR (0.57) ACEGHSR
SCHEMBL30302936 0.96 IL23R (0.51) ACECTSCECE1KISS1RGHSR
SCHEMBL30305362 0.96 IL23R (0.51) ACECTSCECE1KISS1RGHSR

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
WO-2024200264-A1 PEPTIDES AND USES THEREOF SYNTHERIX LIMITED (GB) 2024-10-03 — — WO claimed
WO-2024200264-A1 PEPTIDES AND USES THEREOF SYNTHERIX LIMITED (GB) 2024-10-03 — — WO disclosed
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