SCHEMBL31350355

SCHEMBL31350355

CN(C)C1(CNC(=O)c2c(C(F)F)sc3cccc(OCc4ccccc4)c23)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 5/20 0.51
THRB P10828 2/20 0.44
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HCN1 O60741 1/20 0.37
HCN4 Q9Y3Q4 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31350337 0.88 SLC6A5 (0.55) SLC6A5THRBTP53LMNAKDM4E
SCHEMBL31350321 0.83 ALDH1A1 (0.44) LMNAKDM4EKMT2A
SCHEMBL30655991 0.82 SLC6A5 (0.51) SLC6A5THRBTP53LMNAKDM4E
SCHEMBL31350326 0.81 MEN1 (0.43) LMNAKMT2A
SCHEMBL31350393 0.78 FOLH1 (0.46) TP53KMT2A
SCHEMBL31350332 0.77 MEN1 (0.42) KDM4EKMT2A
SCHEMBL31350343 0.77 HTR3A (0.47) SLC6A5KMT2A
SCHEMBL31350362 0.76 SGMS2 (0.40) LMNAKMT2A
SCHEMBL31350345 0.76 HTR3A (0.39) HCN1HCN4KMT2A
SCHEMBL31350331 0.75 HTR3A (0.46) SLC6A5KMT2A

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