SCHEMBL26989666

SCHEMBL26989666

C#CCNCCc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.52
MTNR1A P48039 2/20 0.47
MTNR1B P49286 1/20 0.47
HTR1A P08908 3/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 1/20 0.47
DRD2 P14416 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45

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
SCHEMBL26989620 0.87 HTR1D (0.59) HTR2AMTNR1AMTNR1BHTR1AHTR1D
SCHEMBL21693925 0.80 HTR1A (0.65) HTR2AHTR1AHTR1DHTR1BHTR7
SCHEMBL26989647 0.78 MTNR1A (0.55) MTNR1AMTNR1BHTR1A
SCHEMBL21709289 0.78 MTNR1A (0.74) MTNR1AMTNR1BHTR1A
SCHEMBL26989667 0.77 CA12 (0.34) HTR2AMTNR1AMTNR1BDRD2HTR7
SCHEMBL26989142 0.76 MTNR1A (0.60) HTR2AMTNR1AMTNR1BHTR1AHTR1D
SCHEMBL10567434 0.76 HTR1D (0.49) HTR2AMTNR1AMTNR1BHTR1AHTR1D
SCHEMBL25057132 0.75 HTR2C (0.68) HTR2AHTR1AHTR1DHTR1BHTR7
SCHEMBL29206374 0.75 MPO (0.73) HTR2AMTNR1AMTNR1BHTR1A
SCHEMBL26989577 0.75 HTR2A (0.68) HTR2AHTR1AHTR1DHTR1B

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-2024008341-A1 SEROTONIN ANALOGUES FOR USE IN TREATING METALLOPTOSIS-ASSOCIATED DISORDERS INSTITUT CURIE (FR) 2024-01-11 WO disclosed