SCHEMBL21392282

SCHEMBL21392282

CCCC[C@H](NC(C)=O)C(=O)NC1CCC(=O)NCCC(C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.54
▸ MC1R Q01726 5/20 0.54
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB3 Q13509 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45
▸ TUBB8 Q3ZCM7 2/20 0.45
▸ TUBA3E Q6PEY2 2/20 0.45
▸ TUBA1A Q71U36 2/20 0.45
▸ TUBA1C Q9BQE3 2/20 0.45
▸ TUBB6 Q9BUF5 2/20 0.45
▸ TUBB2B Q9BVA1 2/20 0.45
▸ TUBB1 Q9H4B7 2/20 0.45
▸ APLNR P35414 1/20 0.44
▸ MC5R P33032 1/20 0.42
▸ MC3R P41968 1/20 0.42

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
SCHEMBL20206283 0.94 MC4R (0.55) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL21392471 0.92 MC4R (0.50) MC4RMC1RMC5RMC3RFCGRT
SCHEMBL21392447 0.91 MC4R (0.54) MC4RMC1RMC3R
SCHEMBL21392400 0.91 MC4R (0.53) MC4RMC1RAPLNRTNKS2
SCHEMBL20206245 0.90 MC4R (0.55) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL12092634 0.90 MC4R (0.55) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL20362937 0.90 MC4R (0.68) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL21392271 0.90 MC4R (0.68) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL21392243 0.90 MC4R (0.68) MC4RMC1RTUBB4ATUBBTUBA3C
SCHEMBL12657707 0.90 MC4R (0.68) MC4RMC1RTUBB4ATUBBTUBA3C

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
Send feedback