SCHEMBL30909149

SCHEMBL30909149

O=C(Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2n1)c1ccoc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.75
HTR1A P08908 16/20 0.75
HTR1D P28221 14/20 0.75
HTR1B P28222 14/20 0.75
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
HTR4 Q13639 1/20 0.54

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
SCHEMBL8383872 0.93 HTR1F (0.72) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL8387305 0.90 HTR1F (0.73) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012312 0.86 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011819 0.83 HTR1F (0.81) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7009843 0.82 HTR1F (0.77) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7009243 0.80 HTR1F (0.79) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7013892 0.79 HTR1F (0.77) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL8723729 0.77 HTR1A (0.42) HTR1FHTR1AHTR1DHTR1B
SCHEMBL8386474 0.75 HTR1D (0.51) HTR1FHTR1AHTR1DHTR1B
SCHEMBL8387337 0.72 HTR1F (0.56) HTR1FHTR1AHTR1DHTR1BHTR2A

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