SCHEMBL30909017

SCHEMBL30909017

CCN(CC)C1CCc2[nH]c3ccc(C(=O)Nc4ccncc4Cl)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.49
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPKAPK2 P49137 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
HTR1A P08908 4/20 0.42
HTR1B P28222 3/20 0.42
HTR1D P28221 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL6962339 1.00 HTR1F (0.49) HTR1FALDH1A1LMNAPDE4APDE4B
SCHEMBL6962343 0.84 ALDH1A1 (0.48) HTR1FALDH1A1LMNAPDE4APDE4B
Phosphoric Acid SCHEMBL6965225 0.83 MAPKAPK2 (0.56) HTR1FALDH1A1LMNAPDE4APDE4B
SCHEMBL8109238 0.80 HTR1F (0.57) HTR1FALDH1A1LMNAMAPKAPK2KMT2A
SCHEMBL6964601 0.80 HTR1F (0.54) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL7662553 0.76 HTR1F (0.81) HTR1FALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL6963197 0.76 HTR1F (0.68) HTR1FALDH1A1LMNAMAPKAPK2KMT2A
SCHEMBL30908928 0.76 HTR1F (0.51) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL8101018 0.76 HTR1F (0.51) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL8101122 0.76 HTR1F (0.55) HTR1FALDH1A1LMNAKMT2AMEN1

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