SCHEMBL19473939

SCHEMBL19473939

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1CC(=O)NCCCCC(C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 16/20 0.62
▸ MC1R Q01726 5/20 0.62
▸ MC3R P41968 5/20 0.62
▸ MC5R P33032 4/20 0.62
▸ TUBB4A P04350 2/20 0.58
▸ TUBB P07437 2/20 0.58
▸ TUBA3C P0DPH7 2/20 0.58
▸ TUBA1B P68363 2/20 0.58
▸ TUBA4A P68366 2/20 0.58
▸ TUBB4B P68371 2/20 0.58
▸ TUBB3 Q13509 2/20 0.58
▸ TUBB2A Q13885 2/20 0.58
▸ TUBB8 Q3ZCM7 2/20 0.58
▸ TUBA3E Q6PEY2 2/20 0.58
▸ TUBA1A Q71U36 2/20 0.58
▸ TUBA1C Q9BQE3 2/20 0.58
▸ TUBB6 Q9BUF5 2/20 0.58
▸ TUBB2B Q9BVA1 2/20 0.58
▸ TUBB1 Q9H4B7 2/20 0.58
▸ FCGRT P55899 1/20 0.57

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
SCHEMBL19473971 0.97 FCGRT (0.60) MC4RMC1RMC3RMC5RTUBB4A
SCHEMBL13064154 0.95 MC4R (0.67) MC4RMC1RMC3RMC5RTUBB4A
SCHEMBL18716870 0.94 MC4R (0.63) MC4RMC1RMC3RMC5RTUBB4A
SCHEMBL19473995 0.94 MC4R (0.63) MC4RMC1RMC3RMC5RTUBB4A
SCHEMBL13064117 0.94 MC4R (0.66) MC4RMC1RMC3RMC5RTUBB4A
Bremelanotide SCHEMBL13574795 0.93 MC4R (0.71) MC4RMC1RMC3RMC5R
Bremelanotide SCHEMBL14498253 0.93 MC4R (0.71) MC4RMC1RMC3RMC5R
Bremelanotide SCHEMBL20356840 0.93 MC4R (0.71) MC4RMC1RMC3RMC5R
Bremelanotide SCHEMBL29405727 0.93 MC4R (0.71) MC4RMC1RMC3RMC5R
Bremelanotide SCHEMBL20356841 0.93 MC4R (0.71) MC4RMC1RMC3RMC5R

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
EP-2440227-B1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2017-10-18 — — EP disclosed
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