SCHEMBL30908994

SCHEMBL30908994

CC(C)n1cc(CCNCC2CCc3[nH]c4ccc(NC(=O)Oc5cccc(F)c5)cc4c3C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VPS4B O75351 1/20 0.42
VCP P55072 1/20 0.42
HTR1F P30939 1/20 0.39
SLC6A4 P31645 10/20 0.36
DRD2 P14416 9/20 0.36
HTR1A P08908 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2B P41595 3/20 0.35
HTR2A P28223 2/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
RORC P51449 1/20 0.34
BRD4 O60885 1/20 0.34
ABL1 P00519 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL8101509 1.00 VPS4B (0.42) VPS4BVCPHTR1FSLC6A4DRD2
SCHEMBL30909244 0.90 HTR1F (0.39) HTR1FHTR1AMAPTALDH1A1KMT2A
SCHEMBL8100845 0.90 HTR1F (0.39) HTR1FHTR1AMAPTALDH1A1KMT2A
SCHEMBL8109141 0.86 KMT2A (0.38) VPS4BVCPHTR1FSLC6A4DRD2
Glycolic Acid SCHEMBL30908912 0.83 VPS4B (0.37) VPS4BVCPHTR1FSLC6A4DRD2
SCHEMBL8101211 0.80 VPS4B (0.37) VPS4BVCPHTR1FSLC6A4HTR1A
SCHEMBL8109143 0.77 VPS4B (0.36) VPS4BVCPHTR1FSLC6A4DRD2
SCHEMBL8109130 0.76 KMT2A (0.39) HTR1FHTR1AMAPTKMT2ARORC
Hydrochloric Acid SCHEMBL7657938 0.75 HTR1F (0.55) HTR1FDRD2HTR1AALDH1A1
Glycolic Acid SCHEMBL30908766 0.74 KMT2A (0.37) HTR1FDRD2HTR1AMAPTKMT2A

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