SCHEMBL30510392

SCHEMBL30510392

CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.63
▸ MC1R Q01726 9/20 0.63
▸ MC5R P33032 8/20 0.63
▸ MC3R P41968 8/20 0.63
▸ TUBB4A P04350 2/20 0.54
▸ TUBB P07437 2/20 0.54
▸ TUBA3C P0DPH7 2/20 0.54
▸ TUBA1B P68363 2/20 0.54
▸ TUBA4A P68366 2/20 0.54
▸ TUBB4B P68371 2/20 0.54
▸ TUBB3 Q13509 2/20 0.54
▸ TUBB2A Q13885 2/20 0.54
▸ TUBB8 Q3ZCM7 2/20 0.54
▸ TUBA3E Q6PEY2 2/20 0.54
▸ TUBA1A Q71U36 2/20 0.54
▸ TUBA1C Q9BQE3 2/20 0.54
▸ TUBB6 Q9BUF5 2/20 0.54
▸ TUBB2B Q9BVA1 2/20 0.54
▸ TUBB1 Q9H4B7 2/20 0.54
▸ SSTR1 P30872 2/20 0.54

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
SCHEMBL29476567 1.00 MC4R (0.63) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29476581 1.00 MC4R (0.63) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29511302 0.97 MC4R (0.65) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL31140226 0.97 MC4R (0.65) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29482482 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29482492 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29476424 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29476538 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29510982 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL29510995 0.97 MC4R (0.67) MC4RMC1RMC5RMC3RTUBB4A

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-116507353-A Methods of treating melanocortin-4 receptor pathway-related disorders 节奏制药公司 2023-07-28 — — CN disclosed
Send feedback