SCHEMBL30909031

SCHEMBL30909031

CCCN1CCC(c2c[nH]c3ccc(NC(=O)N(OC(C)CC)c4ccccc4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.51
HTR1B P28222 17/20 0.51
HTR1A P08908 1/20 0.49
HTR1F P30939 1/20 0.49
CHRM2 P08172 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL7482860 1.00 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7489665 0.88 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909273 0.88 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481600 0.86 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909266 0.85 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383715 0.85 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1F
Fumaric Acid SCHEMBL7480212 0.84 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2
Fumaric Acid SCHEMBL30909090 0.84 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2
SCHEMBL7482537 0.83 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909097 0.83 HTR1D (0.54) 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