SCHEMBL30908768

SCHEMBL30908768

CCCc1cccc(C(=S)Nc2ccc3[nH]cc(C4CCN5CCCCC5C4)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
HTR1D P28221 16/20 0.44
HTR1B P28222 14/20 0.44
HTR1A P08908 2/20 0.42
HTR1F P30939 2/20 0.42
RORC P51449 1/20 0.42
CHRM2 P08172 1/20 0.39
DRD2 P14416 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
SCHEMBL8383651 1.00 SLC6A4 (0.44) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL30909175 0.91 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8386464 0.91 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL7480628 0.85 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909053 0.85 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8386604 0.82 SLC6A4 (0.46) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL30908881 0.82 SLC6A4 (0.46) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387141 0.81 HTR1D (0.50) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL30909007 0.81 RORC (0.53) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8383584 0.81 RORC (0.53) HTR1DHTR1BHTR1AHTR1FRORC

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