SCHEMBL21285563

SCHEMBL21285563

C=CCC1(C(=O)OCc2ccccc2)C[C@@H](NC)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38

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
SCHEMBL26882424 0.89 HTR2C (0.38) HTR2C
SCHEMBL22864830 0.89 HTR2C (0.38) HTR2C
Trifluoroacetic Acid SCHEMBL29855357 0.84 RORC (0.36)
SCHEMBL28459073 0.82 HTR2C (0.38) HTR2C
SCHEMBL27100707 0.81
SCHEMBL27101594 0.78 L3MBTL1 (0.37)
SCHEMBL27101427 0.76 JAK2 (0.38)
SCHEMBL25555099 0.75 SMN1; SMN2 (0.41) HTR2C
SCHEMBL31197604 0.75 SMN1; SMN2 (0.41) HTR2C
SCHEMBL21285635 0.74 L3MBTL1 (0.37)

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-2019159120-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2019-08-22 WO disclosed