SCHEMBL31510146

SCHEMBL31510146

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ KEAP1 Q14145 1/20 0.48
▸ GRPR P30550 2/20 0.47
▸ KISS1R Q969F8 2/20 0.47
▸ GLP1R P43220 3/20 0.47
▸ PTH1R Q03431 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.45
▸ IL23R Q5VWK5 2/20 0.45

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
SCHEMBL30093071 0.93 C5AR1 (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30130533 0.92 C5AR1 (0.55) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30093002 0.90 C5AR1 (0.55) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30138626 0.90 C5AR1 (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30636163 0.89 CTSL (0.52) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30093023 0.89 KISS1R (0.54) C5AR1KISS1RGLP1R
SCHEMBL30533170 0.89 GLP1R (0.56) KEAP1GLP1R
SCHEMBL29754637 0.89 CTSL (0.52) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30093064 0.88 C5AR1 (0.53) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30093066 0.88 C5AR1 (0.53) CTSLCTSSCTSKCTSHC5AR1

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-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN claimed
CN-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN disclosed
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