SCHEMBL30945347

SCHEMBL30945347

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ ACE P12821 2/20 0.51
▸ ECE1 P42892 4/20 0.50
▸ KISS1R Q969F8 2/20 0.50
▸ NPY1R P25929 2/20 0.49
▸ NPY2R P49146 2/20 0.49
▸ NPY4R P50391 2/20 0.49
▸ GHSR Q92847 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ MMP1 P03956 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP8 P22894 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
SCHEMBL30945346 0.98 MAGI3 (0.52) MAGI3ACEECE1KISS1RNPY1R
SCHEMBL30093131 0.98 MAGI3 (0.52) MAGI3ACEECE1KISS1RNPY1R
SCHEMBL30339696 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL30148460 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL29732610 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL30302874 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL29800092 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL30305295 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL31110538 0.97 KISS1R (0.54) MAGI3ACEKISS1RNPY1RNPY2R
SCHEMBL30093056 0.95 ACE (0.54) MAGI3ACEECE1KISS1RERAP2

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-118373885-B Indole derivative and synthesis method and application thereof 德州学院 2024-11-01 — — CN disclosed
CN-118373885-A Indole derivative and synthesis method and application thereof 德州学院 2024-07-23 — — CN disclosed
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