SCHEMBL30909121

SCHEMBL30909121

CCOC(=O)N(C(=O)Nc1ccc2[nH]cc(C3CCN(C(C)(C)C)CC3)c2c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.50
HTR1B P28222 17/20 0.50
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
HTR6 P50406 1/20 0.44
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL7543125 1.00 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL30908891 0.84 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387497 0.84 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1F
SCHEMBL30908901 0.83 HTR1F (0.52) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL7486252 0.83 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL30908936 0.82 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL7489363 0.82 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL7489102 0.81 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30908972 0.81 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8386857 0.79 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1F

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