SCHEMBL26654243

SCHEMBL26654243

CC(C)(C)OC(=O)N(CCCC[C@H](N)C(=O)O)Cc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.49
MC3R P41968 8/20 0.49
MC5R P33032 8/20 0.49
MC1R Q01726 3/20 0.46
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BCHE P06276 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SLC1A5 Q15758 1/20 0.39

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
SCHEMBL26654244 1.00 MC4R (0.49) MC4RMC3RMC5RMC1RF2
SCHEMBL30627388 0.90 MC4R (0.46) MC4RMC3RMC5RMC1RF2
SCHEMBL13783897 0.83 CYP1A2 (0.54) MC4RMC3RMC5RMC1RHDAC3
SCHEMBL30941017 0.82 MC3R (0.50) MC4RMC3RMC5RMC1RF2
SCHEMBL3312799 0.82 MC3R (0.50) MC4RMC3RMC5RMC1RF2
SCHEMBL26654294 0.81 TGM2 (0.54) F2HDAC1HDAC2CTSBCTSS
SCHEMBL26654189 0.81 CTSB (0.42) MC4RMC3RMC5RHDAC3HDAC1
SCHEMBL26654354 0.81 CTSB (0.42) MC4RMC3RMC5RHDAC3HDAC1
SCHEMBL26654193 0.81 CTSB (0.42) MC4RMC3RMC5RHDAC3HDAC1
SCHEMBL26654291 0.81 TGM2 (0.54) F2HDAC1HDAC2CTSBCTSS

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-2023223057-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF CYPRALIS LIMITED (GB) 2023-11-23 WO disclosed