SCHEMBL23745188

SCHEMBL23745188

CC(=O)N[C@@H](CCCNC(=N)N)C(O)N[C@H]1CNC(=O)CCCCCNC(=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)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSLP Q969D9 2/20 0.46
▸ MC4R P32245 10/20 0.45
▸ MC1R Q01726 7/20 0.45
▸ 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
▸ MC5R P33032 3/20 0.43
▸ MC3R P41968 3/20 0.43

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
SCHEMBL20642744 0.90 MC4R (0.50) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL20642672 0.90 MC4R (0.51) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL18717185 0.87 MC4R (0.52) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL20642764 0.85 MC4R (0.48) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL23750199 0.84 MC4R (0.50) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL20642809 0.82 MC4R (0.53) MC4RMC1RMC5RMC3R
SCHEMBL18716878 0.82 MC4R (0.58) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL23745182 0.82 TUBB4A (0.58) TSLPMC4RMC1RTUBB4ATUBB
SCHEMBL20642763 0.82 MC4R (0.53) TSLPMC4RMC1RMC5RMC3R
SCHEMBL20642598 0.82 MC4R (0.56) TSLPMC4RMC1RMC5RMC3R

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-2021158464-A1 REVERSE AMIDE-LINKED MELANOCORTIN RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 — — WO disclosed
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