SCHEMBL30909281

SCHEMBL30909281

CC(C)CN1CCC(c2c[nH]c3ccc(NC(=O)OC4CCCCC4)nc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.58
HTR1A P08908 9/20 0.58
HTR1D P28221 10/20 0.57
HTR1B P28222 10/20 0.57
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR1E P28566 2/20 0.55
HTR4 Q13639 2/20 0.55
HTR6 P50406 1/20 0.55

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
SCHEMBL7011890 1.00 HTR1F (0.58) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL30908810 0.89 HTR1F (0.69) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7009114 0.89 HTR1F (0.69) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7489554 0.81 HTR1D (0.56) HTR1FHTR1AHTR1DHTR1B
SCHEMBL7011169 0.79 HTR1F (0.63) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL30909159 0.79 HTR1F (0.63) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7006117 0.79 HTR1F (0.63) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7013065 0.78 HTR1F (0.70) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7017282 0.76 HTR1F (0.65) HTR1FHTR1AHTR1DHTR1BHTR2A
3-Hydroxybutyric Acid, (+/-)- SCHEMBL8458332 0.76 HTR1F (0.58) 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