SCHEMBL31350331

SCHEMBL31350331

CN1CCC(NC(=O)c2c(C(F)F)sc3cccc(OCc4ccccc4)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.46
SLC6A5 Q9Y345 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM5A P29375 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SSTR1 P30872 4/20 0.41
SSTR4 P31391 4/20 0.41
SGMS2 Q8NHU3 1/20 0.41
BACE1 P56817 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL31350343 0.95 HTR3A (0.47) HTR3ASLC6A5MEN1KMT2AKDM5A
SCHEMBL31350342 0.88 SLC6A5 (0.46) HTR3ASLC6A5MEN1KMT2AKDM5A
SCHEMBL31350345 0.83 HTR3A (0.39) HTR3AMEN1KMT2AKDM5AALDH1A1
SCHEMBL31350332 0.83 MEN1 (0.42) HTR3AMEN1KMT2AKDM5AALDH1A1
SCHEMBL31350328 0.83 BRD4 (0.45) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL30656061 0.82 SLC6A5 (0.47) HTR3ASLC6A5
SCHEMBL31350335 0.82 MEN1 (0.49) HTR3ASLC6A5MEN1KMT2AALDH1A1
SCHEMBL31350326 0.81 MEN1 (0.43) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350330 0.79 APOL1 (0.40) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350393 0.77 FOLH1 (0.46) MEN1KMT2A

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