SCHEMBL30720014

SCHEMBL30720014

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.54
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ RAMP3 O60896 12/20 0.51
▸ CALCR P30988 12/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ MC4R P32245 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ NPY5R Q15761 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
SCHEMBL31157043 0.88 APLNR (0.58) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31494290 0.88 CTSL (0.51) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30883258 0.88 CTSL (0.55) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31169469 0.87 C5AR1 (0.61) RAMP3CALCRC5AR1MC4RNPY1R
SCHEMBL31461953 0.87 RAMP3 (0.58) APLNRRAMP3CALCR
SCHEMBL30631666 0.86 CTSL (0.62) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30898604 0.86 F2 (0.58) APLNRRAMP3CALCRC5AR1MC4R
SCHEMBL30862104 0.86 CTSL (0.52) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31511427 0.85 C5AR1 (0.57) CTSLCTSSCTSKCTSHRAMP3
SCHEMBL30398324 0.85 APLNR (0.54) APLNRCTSLCTSSCTSKCTSH

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-117586347-A A hirudin with antidiabetic activity and its application 滨州医学院 2024-02-23 — — CN claimed
CN-117586347-A A hirudin with antidiabetic activity and its application 滨州医学院 2024-02-23 — — CN disclosed
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