SCHEMBL28933802

SCHEMBL28933802

FC(F)(F)c1ccc(C[C@H]2CCNC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
GBA1 P04062 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
TEAD1 P28347 2/20 0.44
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL8227791 1.00 HTR2C (0.49) HTR2CGBA1SLC6A2SLC6A4TEAD1
Hydrochloric Acid SCHEMBL23632761 0.98 HTR2C (0.50) HTR2CGBA1SLC6A2SLC6A4TEAD1
Oxalic Acid SCHEMBL1760951 0.91 SLC6A2 (0.44) HTR2CGBA1SLC6A2SLC6A4
SCHEMBL27644931 0.90 EED (0.48) HTR2CSLC6A2SLC6A4TEAD1HRH4
SCHEMBL13576641 0.90 EED (0.48) HTR2CSLC6A2SLC6A4TEAD1HRH4
Acetic Acid SCHEMBL1812749 0.90 SLC6A4 (0.46) HTR2CGBA1SLC6A2SLC6A4
SCHEMBL894468 0.90 GBA1 (0.59) HTR2CGBA1SLC6A2SLC6A4TEAD1
Hydrochloric Acid SCHEMBL4773715 0.88 GBA1 (0.58) HTR2CGBA1SLC6A2SLC6A4TEAD1
SCHEMBL22462798 0.86 CHRNB2 (0.43) HTR2CSLC6A2SLC6A4TEAD1
Hydrochloric Acid SCHEMBL22462991 0.83 GBA1 (0.51) HTR2CGBA1SLC6A2SLC6A4TEAD1

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
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 CN disclosed