SCHEMBL27434199

SCHEMBL27434199

COCCCN1CCOc2c1cc(Cl)c(F)c2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
REN P00797 1/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
RECQL P46063 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30954063 1.00 HTR4 (0.38) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL30954047 0.93 TSHR (0.34) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL27434272 0.93 TSHR (0.34) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL30954149 0.89 HTR4 (0.37) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL27434185 0.89 HTR4 (0.37) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL27434163 0.85 AR (0.36) HTR4HTR3AHTTTSHRLMNA
SCHEMBL30954145 0.85 AR (0.36) HTR4HTR3AHTTTSHRLMNA
SCHEMBL30954157 0.83 CHRM1 (0.37) TSHRBCL2MCL1LMNAMAPT
SCHEMBL27434015 0.83 CHRM1 (0.37) TSHRBCL2MCL1LMNAMAPT
SCHEMBL30954073 0.82 HSP90AA1 (0.35) HTR4TSHRBCL2MCL1LMNA

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
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO claimed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed