SCHEMBL30186432

SCHEMBL30186432

CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.63
▸ MC5R P33032 2/20 0.63
▸ MC3R P41968 2/20 0.63
▸ MC1R Q01726 2/20 0.63
▸ CXCL8 P10145 10/20 0.61
▸ C5AR1 P21730 1/20 0.60
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ CXCR4 P61073 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.56
▸ KISS1R Q969F8 2/20 0.56
▸ DPP3 Q9NY33 1/20 0.56

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
SCHEMBL30186411 0.91 MC4R (0.66) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL30670487 0.91 CXCR4 (0.64) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL16692904 0.88 C5AR1 (0.66) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL29389654 0.86 MC4R (0.67) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL31419719 0.86 NPY1R (0.62) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL29733647 0.86 C5AR1 (0.63) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL31364213 0.86 CXCR4 (0.58) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL31419733 0.86 KISS1R (0.60) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL29993973 0.86 C5AR1 (0.59) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL30218939 0.85 CXCR4 (0.65) MC4RMC5RMC3RMC1RCXCL8

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
US-20230165943-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION CHRYSALIS BIOTHERAPEUTICS, INC. 2023-06-01 — — US disclosed
EP-4132948-A1 TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION Chrysalis Biotherapeutics (US) 2023-02-15 — — EP disclosed
Send feedback