SCHEMBL30909110

SCHEMBL30909110

CCCSN(C(=O)Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.45
HTR1B P28222 14/20 0.45
HTR1A P08908 2/20 0.44
HTR1F P30939 2/20 0.44
SLC6A4 P31645 3/20 0.44
RORC P51449 1/20 0.39
CHRM2 P08172 1/20 0.38
DRD2 P14416 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
SCHEMBL8384438 1.00 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721021 0.94 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8385340 0.92 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30908878 0.92 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387144 0.87 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383579 0.85 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30909136 0.85 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383519 0.85 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30909197 0.85 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL7486041 0.84 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FCHRM2

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-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed