SCHEMBL30909233

SCHEMBL30909233

COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)C3CCN(C)CC3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 18/20 0.78
HTR1D P28221 2/20 0.62
CHRM5 P08912 1/20 0.62
DRD5 P21918 1/20 0.62
HTR1E P28566 1/20 0.62
HTR7 P34969 1/20 0.62
OPRK1 P41145 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HTR1A P08908 3/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL2539504 1.00 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2540244 0.89 HTR1F (0.81) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2533719 0.88 HTR1F (1.00) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2535877 0.87 HTR1F (0.79) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2531437 0.87 HTR1F (0.98) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30909139 0.86 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535880 0.86 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2531513 0.83 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30909102 0.83 HTR1F (0.78) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537303 0.82 HTR1F (0.71) HTR1FHTR1DCHRM5DRD5HTR1E

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