SCHEMBL30909249

SCHEMBL30909249

CCCCOc1cccc(OC(=O)Nc2ccc3[nH]cc(C4CCN(CC(C)(C)C)CC4)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.48
HTR1B P28222 18/20 0.48
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47
CHRM2 P08172 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7489188 1.00 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909056 0.85 HTR1F (0.53) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7012785 0.85 HTR1F (0.53) HTR1DHTR1BHTR1AHTR1F
SCHEMBL30909111 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7480955 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7478444 0.82 HTR1D (0.63) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7484304 0.82 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909024 0.81 HTR1D (0.57) HTR1DHTR1BCHRM2DRD2
SCHEMBL7489512 0.81 HTR1D (0.57) HTR1DHTR1BCHRM2DRD2
SCHEMBL7480587 0.79 HTR1D (0.66) 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