SCHEMBL21392356

SCHEMBL21392356

CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.66
▸ MC1R Q01726 9/20 0.66
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 1/20 0.50
▸ TUBB4A P04350 2/20 0.48
▸ TUBB P07437 2/20 0.48
▸ TUBA3C P0DPH7 2/20 0.48
▸ TUBA1B P68363 2/20 0.48
▸ TUBA4A P68366 2/20 0.48
▸ TUBB4B P68371 2/20 0.48
▸ TUBB3 Q13509 2/20 0.48
▸ TUBB2A Q13885 2/20 0.48
▸ TUBB8 Q3ZCM7 2/20 0.48
▸ TUBA3E Q6PEY2 2/20 0.48
▸ TUBA1A Q71U36 2/20 0.48
▸ TUBA1C Q9BQE3 2/20 0.48
▸ TUBB6 Q9BUF5 2/20 0.48
▸ TUBB2B Q9BVA1 2/20 0.48
▸ TUBB1 Q9H4B7 2/20 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
SCHEMBL21392271 0.94 MC4R (0.68) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL12657707 0.94 MC4R (0.68) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL21392243 0.94 MC4R (0.68) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL20362937 0.94 MC4R (0.68) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL12657705 0.93 MC4R (0.69) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL21392255 0.93 MC4R (0.69) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL20206180 0.93 MC4R (0.69) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL21392259 0.90 MC4R (0.61) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL21392260 0.90 MC4R (0.69) MC4RMC1RMC5RMC3RTUBB4A
SCHEMBL21392463 0.90 MC4R (0.69) 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
WO-2019183472-A1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDE FORMULATIONS AND METHODS FOR GASTROINTESTINAL TRACT-SPECIFIC DELIVERY PALATIN TECHNOLOGIES, INC. (US) 2019-09-26 — — WO disclosed
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