SCHEMBL30909263

SCHEMBL30909263

CCN(CC)CC1CCc2[nH]c3ccc(NC(=O)c4ncccc4Cl)cc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.46
GRM4 Q14833 2/20 0.42
GRM1 Q13255 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL8109969 1.00 HTR1F (0.46) HTR1FGRM4GRM1ALDH1A1KDM4E
SCHEMBL8101018 0.87 HTR1F (0.51) HTR1FGRM4GRM1ALDH1A1KDM4E
SCHEMBL30908928 0.87 HTR1F (0.51) HTR1FGRM4GRM1ALDH1A1KDM4E
SCHEMBL8116660 0.86 HTR1F (0.49) HTR1FALDH1A1KDM4EMEN1MAPT
SCHEMBL30908942 0.86 HTR1F (0.49) HTR1FALDH1A1KDM4EMEN1MAPT
SCHEMBL8100851 0.83 HTR1F (0.51) HTR1FALDH1A1KDM4EMEN1MAPT
SCHEMBL8109534 0.78 HTR1F (0.53) HTR1FALDH1A1KDM4EMEN1MAPT
SCHEMBL30909215 0.76 HTR1F (0.49) HTR1FHTR1A
SCHEMBL8114968 0.76 HTR1F (0.49) HTR1FHTR1A
SCHEMBL8101122 0.73 HTR1F (0.55) HTR1FALDH1A1KDM4EMEN1MAPT

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