SCHEMBL30909082

SCHEMBL30909082

CCSN(C(=O)Nc1ccc2[nH]cc(C3CCN(C(CC)CC)CC3)c2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.51
HTR1B P28222 14/20 0.51
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
CCR2 P41597 4/20 0.44
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL7484592 1.00 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7486041 0.88 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7481470 0.86 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL30908878 0.84 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8385340 0.84 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7480395 0.83 HTR1D (0.62) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721021 0.80 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7490112 0.80 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7489436 0.80 HTR1D (0.60) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30908885 0.79 HTR1D (0.56) 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