SCHEMBL30730002

SCHEMBL30730002

CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cccc3F)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 18/20 0.85
CHRM5 P08912 1/20 0.85
DRD5 P21918 1/20 0.85
HTR1D P28221 1/20 0.85
HTR1E P28566 1/20 0.85
HTR7 P34969 1/20 0.85
OPRK1 P41145 1/20 0.85
TMEM97 Q5BJF2 1/20 0.85
SIGMAR1 Q99720 1/20 0.85
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR1A P08908 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56

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
SCHEMBL2537137 1.00 HTR1F (0.85) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909086 0.93 HTR1F (0.76) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2538050 0.93 HTR1F (0.76) HTR1FCHRM5DRD5HTR1DHTR1E
Hydrochloric Acid SCHEMBL2531448 0.92 HTR1F (0.74) HTR1FCHRM5DRD5HTR1DHTR1E
Lasmiditan SCHEMBL29376817 0.92 HTR1F (1.00) HTR1FCHRM5DRD5HTR1DHTR1E
Lasmiditan SCHEMBL536057 0.92 HTR1F (1.00) HTR1FCHRM5DRD5HTR1DHTR1E
Lasmiditan SCHEMBL2536468 0.91 HTR1F (0.98) HTR1FCHRM5DRD5HTR1DHTR1E
Lasmiditan SCHEMBL29598155 0.91 HTR1F (0.98) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL30909284 0.91 HTR1F (0.71) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2537040 0.91 HTR1F (0.71) HTR1FCHRM5DRD5HTR1DHTR1E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117630235-A HPLC analysis and detection method for lamiditan hemisuccinate and related substances thereof 江苏万邦生化医药集团有限责任公司 2024-03-01 CN claimed
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
CN-117630235-A HPLC analysis and detection method for lamiditan hemisuccinate and related substances thereof 江苏万邦生化医药集团有限责任公司 2024-03-01 CN disclosed