SCHEMBL30909261

SCHEMBL30909261

O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.50
HTR1A P08908 4/20 0.50
HTR1D P28221 15/20 0.49
HTR1B P28222 12/20 0.49
DRD2 P14416 2/20 0.46
CHRM2 P08172 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.41

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
SCHEMBL8382624 1.00 HTR1F (0.50) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL30908902 0.91 HTR2A (0.44) HTR1FHTR1ADRD2CHRM2HRH3
SCHEMBL8385565 0.91 HTR2A (0.44) HTR1FHTR1ADRD2CHRM2HRH3
SCHEMBL8382161 0.89 HTR1F (0.39) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL30908964 0.89 HTR1F (0.39) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8382151 0.87 RAB9A (0.41) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8383089 0.86 MAPT (0.43) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL30908923 0.86 MAPT (0.43) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8387630 0.86 KCNK3 (0.37) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8381834 0.85 RAB9A (0.40) HTR1FHTR1AHTR1DHTR1BDRD2

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