SCHEMBL28906353

SCHEMBL28906353

Fc1ccc(-c2[nH]c3ccccc3c2Cc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
HTR2C P28335 2/20 0.61
DRD2 P14416 1/20 0.61
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
MAPK14 Q16539 1/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
TSPO P30536 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL823080 0.86 HTR2A (0.66) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL6990745 0.86 DRD2 (0.52) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL29069328 0.85 DRD2 (0.51) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL28906516 0.85 HTR2A (0.62) HTR2AHTR2CDRD2CNR1TUBB4A
SCHEMBL24098774 0.82 PPARG (0.61) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL30218292 0.82 PPARG (0.61) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL28906369 0.82 MAPT (0.55) HTR2AHTR2CDRD2MAPTHPGD
SCHEMBL28906371 0.82 HTR2A (0.61) HTR2AHTR2CDRD2KDM4EMAPT
SCHEMBL28906377 0.82 PTGS2 (0.49) HTR2AHTR2CDRD2MAPTPTGS2
SCHEMBL28906367 0.81 HTR2A (0.64) HTR2AHTR2CDRD2KDM4EALDH1A1

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
CN-115304533-B Bisindolemethane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-04-12 CN disclosed
CN-117567447-A Thiophene-containing bis-indolomethane type a-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-02-20 CN disclosed
CN-115304533-A Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2022-11-08 CN disclosed