SCHEMBL8725936

SCHEMBL8725936

CCCC(C(=O)Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.37
HRH3 Q9Y5N1 5/20 0.35
MCHR1 Q99705 3/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
NPY2R P49146 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8547896 0.85 DRD2 (0.37) HRH3DRD2SLC6A4HTR1DHTR1B
SCHEMBL8721866 0.82 TP53 (0.38) SHMT2HRH3MCHR1DRD2SLC6A4
SCHEMBL8723639 0.81 KDM4E (0.40) HRH3MCHR1DRD2SLC6A4HTR1D
SCHEMBL8721868 0.80 HRH3 (0.34) SHMT2HRH3MCHR1DRD2SLC6A4
SCHEMBL8725933 0.80 HTR1D (0.45) SHMT2HRH3HTR1DHTR1BALDH1A1
SCHEMBL8720869 0.79 ACHE (0.39) SHMT2HRH3POLBHTR1DHTR1B
SCHEMBL8721056 0.79 MCHR1 (0.38) HRH3MCHR1POLBKCNH2MAPT
SCHEMBL8720774 0.79 L3MBTL3 (0.43) HRH3DRD2HTR1DHTR1BL3MBTL3
SCHEMBL8722156 0.78 DRD2 (0.38) HRH3DRD2SLC6A4HTR1DHTR1B
SCHEMBL8721062 0.78 LMNA (0.43) HRH3HTR1DHTR1BL3MBTL1

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 2 patents. 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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed