SCHEMBL30909232

SCHEMBL30909232

CCOc1ccccc1C(=O)Nc1cccc(C(=O)C2CCN(C)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.62
CHRM5 P08912 1/20 0.57
DRD5 P21918 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1E P28566 1/20 0.57
HTR7 P34969 1/20 0.57
OPRK1 P41145 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
RXFP1 Q9HBX9 2/20 0.53
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.47
BRPF1 P55201 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL2536423 1.00 HTR1F (0.62) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2533710 0.92 HTR1F (0.60) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537340 0.89 HTR1F (0.59) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909047 0.89 HTR1F (0.59) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2536410 0.86 HTR1F (0.60) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909170 0.86 HTR1F (0.62) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2535447 0.86 HTR1F (0.62) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2531439 0.85 HTR1F (0.64) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909063 0.85 HTR1F (0.64) HTR1FCHRM5DRD5HTR1DHTR1E
Hydrochloric Acid SCHEMBL2540800 0.84 HTR1F (0.63) HTR1FCHRM5DRD5HTR1DHTR1E

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