SCHEMBL31350345

SCHEMBL31350345

CN1CC(NC(=O)c2c(C(F)F)sc3cccc(OCc4ccccc4)c23)C(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
EDNRA P25101 1/20 0.34
HCN1 O60741 1/20 0.34
HCN4 Q9Y3Q4 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
CNR2 P34972 2/20 0.33
GLRA1 P23415 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
VEGFA P15692 1/20 0.33
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
KDM5A P29375 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL31350320 0.89 EDNRA (0.38) HTR3AMEN1KMT2AALDH1A1EDNRA
SCHEMBL31350331 0.83 HTR3A (0.46) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350343 0.83 HTR3A (0.47) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL30656300 0.83 EDNRA (0.41) HTR3AKMT2AALDH1A1EDNRACNR2
SCHEMBL31350332 0.82 MEN1 (0.42) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350326 0.79 MEN1 (0.43) HTR3AMEN1KMT2AALDH1A1EDNRA
SCHEMBL31350328 0.76 BRD4 (0.45) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350393 0.76 FOLH1 (0.46) MEN1KMT2AEDNRAPTGER1NPC1
SCHEMBL31350355 0.76 SLC6A5 (0.51) KMT2AHCN1HCN4
SCHEMBL31350330 0.76 APOL1 (0.40) HTR3AMEN1KMT2AALDH1A1SGMS2

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
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed