SCHEMBL30909240

SCHEMBL30909240

CN1CCC(c2c[nH]c3ccc(NCc4ccc5ncccc5c4)nc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.55
HTR1D P28221 15/20 0.55
HTR1B P28222 14/20 0.55
HTR1A P08908 13/20 0.55
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR6 P50406 1/20 0.52
HTR4 Q13639 1/20 0.52

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
SCHEMBL7101114 1.00 HTR1F (0.55) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010188 0.83 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008254 0.78 HTR1F (0.44) HTR1FHTR1AHTR6
SCHEMBL30909294 0.78 HTR1F (0.44) HTR1FHTR1AHTR6
SCHEMBL7011526 0.78 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010351 0.78 HTR1F (0.58) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7004931 0.77 HTR1F (0.71) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010830 0.77 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010143 0.76 HTR1F (0.64) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011969 0.76 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A

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