SCHEMBL8725933

SCHEMBL8725933

COC(=O)CCCCC(=O)Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.45
HTR1B P28222 8/20 0.45
CDK4 P11802 5/20 0.41
CCND3 P30281 5/20 0.41
PTPRC P08575 3/20 0.39
PTPN13 Q12923 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SHMT2 P34897 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL8720761 0.87 TPSAB1 (0.43) HTR1DHTR1BSMN1; SMN2
SCHEMBL8723639 0.86 KDM4E (0.40) HTR1DHTR1BALDH1A1HRH3
SCHEMBL8547892 0.84 HTR1D (0.46) HTR1DHTR1BPTPRCPTPN13L3MBTL1
SCHEMBL8721062 0.84 LMNA (0.43) HTR1DHTR1BLMNASMN1; SMN2L3MBTL1
SCHEMBL8720869 0.81 ACHE (0.39) HTR1DHTR1BSHMT2HRH3
SCHEMBL8723972 0.80 HRH3 (0.35) HTR1DHTR1BALDH1A1SMN1; SMN2SHMT2
SCHEMBL8725936 0.80 SHMT2 (0.37) HTR1DHTR1BALDH1A1L3MBTL1SHMT2
SCHEMBL8724094 0.79 ACKR3 (0.39) HTR1DHTR1BL3MBTL1HRH3
SCHEMBL8721795 0.79 KMT2A (0.46) ALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL8725928 0.79 RORC (0.47) HTR1DHTR1BSMN1; SMN2L3MBTL1HRH3

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