SCHEMBL31053728

SCHEMBL31053728

CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 3/20 0.56
▸ DPP3 Q9NY33 3/20 0.55
▸ C5AR1 P21730 2/20 0.55
▸ NMBR P28336 1/20 0.54
▸ GRPR P30550 1/20 0.54
▸ CXCL8 P10145 5/20 0.54
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSH P09668 1/20 0.53
▸ GNRHR P30968 1/20 0.52
▸ ABCC2 Q92887 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL30310868 0.87 CXCL8 (0.65) KISS1RDPP3CXCL8
SCHEMBL26426326 0.87 CTSL (0.65) KISS1RNMBRGRPRCXCL8CTSL
SCHEMBL29577889 0.87 NMBR (0.61) KISS1RNMBRGRPRCXCL8CTSL
SCHEMBL29660489 0.87 C5AR1 (0.64) KISS1RC5AR1CXCL8CTSLCTSS
SCHEMBL31083911 0.86 CXCL8 (0.64) KISS1RDPP3CXCL8
SCHEMBL31187485 0.86 MEN1 (0.66) KISS1RDPP3CXCL8MEN1KMT2A
SCHEMBL30033999 0.86 KISS1R (0.57) KISS1RDPP3C5AR1
SCHEMBL31265190 0.86 C5AR1 (0.61) KISS1RC5AR1NMBRGRPRCXCL8
SCHEMBL29531728 0.85 C5AR1 (0.59) KISS1RDPP3C5AR1
SCHEMBL29637421 0.85 DPP3 (0.62) KISS1RDPP3C5AR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221769-A Heptapeptide sequence with apatite binding property, panning method and application thereof 华中科技大学同济医学院附属同济医院 2024-06-21 — — CN disclosed
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