SCHEMBL29666481

SCHEMBL29666481

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ CTSL P07711 3/20 0.61
▸ CTSS P25774 3/20 0.61
▸ CTSK P43235 3/20 0.61
▸ CTSH P09668 1/20 0.61
▸ CXCR4 P61073 5/20 0.58
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CXCL8 P10145 5/20 0.54
▸ DPP3 Q9NY33 1/20 0.54
▸ APLNR P35414 1/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53

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
SCHEMBL31694509 0.88 C5AR1 (0.73) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL38663455 0.87 C5AR1 (0.63) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29677323 0.86 CTSL (0.67) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30091430 0.86 CTSL (0.67) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31307225 0.86 IL23R (0.65) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29513768 0.86 CTSL (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29845337 0.86 CXCR4 (0.58) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30381557 0.85 KISS1R (0.59) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30821694 0.85 CTSL (0.69) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31182510 0.85 C5AR1 (0.65) C5AR1CTSLCTSSCTSKCTSH

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-110511269-B Application of targeting polypeptide ZP-16 specifically bound with MUC4 protein in preparation of medicines 川北医学院附属医院 2022-07-12 — — CN claimed
CN-110511269-B Application of targeting polypeptide ZP-16 specifically bound with MUC4 protein in preparation of medicines 川北医学院附属医院 2022-07-12 — — CN disclosed
Send feedback