SCHEMBL23536638

SCHEMBL23536638

c1cnc2c(C3CCOCC3)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1F P30939 2/20 0.41
HTR1A P08908 1/20 0.40
KCNMA1 Q12791 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL2346187 0.83 HTR2C (0.58) HTR1DHTR1BHTR1FHTR1ACCR2
SCHEMBL23536547 0.82 PDE10A (0.37) PDE10AHTR1DHTR1BHTR1FHTR1A
SCHEMBL3227421 0.81 PDE10A (0.42) PDE10AHTR1DHTR1BHTR1FHTR1A
SCHEMBL23536621 0.80 PDE10A (0.38) PDE10AHTR1DHTR1BHTR1FHTR1A
SCHEMBL3257683 0.79 HTR1F (0.65) HTR1DHTR1BHTR1FHTR1A
SCHEMBL30909178 0.79 HTR1F (0.65) HTR1DHTR1BHTR1FHTR1A
SCHEMBL31295113 0.78 HTR2C (0.48) HTR1DHTR1BHTR1FHTR1ACCR2
SCHEMBL3215983 0.77 HTR1A (0.50) HTR1DHTR1BHTR1FHTR1ACCR2
SCHEMBL3217354 0.77 HTR1A (0.50) HTR1DHTR1BHTR1FHTR1ACCR2
SCHEMBL2433686 0.76 IRAK4 (0.39) PDE10AHTR1DHTR1BHTR1FHTR1A

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed