SCHEMBL30824772

SCHEMBL30824772

CC(C)(O)c1ccc(OC2CC(OCC3CCNCC3)C2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 13/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CYP3A43 Q9HB55 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL27393380 1.00 UTS2R (0.34) UTS2RIKBKBCHUKSLC6A4EP300
SCHEMBL30812132 0.84 IKBKB (0.39) UTS2RIKBKBCHUKSLC6A4TBK1
SCHEMBL30824826 0.82 UTS2R (0.34) UTS2RIKBKBCHUKSLC6A4EP300
SCHEMBL27391581 0.82 UTS2R (0.34) UTS2RIKBKBCHUKSLC6A4EP300
SCHEMBL30824929 0.77 TDP1 (0.48) SLC6A4EP300CYP2D6PIM1PIM2
SCHEMBL27392263 0.77 TDP1 (0.48) SLC6A4EP300CYP2D6PIM1PIM2
SCHEMBL30824928 0.77 TDP1 (0.48) SLC6A4EP300CYP2D6PIM1PIM2
SCHEMBL30824871 0.76 BRD4 (0.47) —
SCHEMBL27393382 0.76 BRD4 (0.47) —
SCHEMBL30812175 0.76 UTS2R (0.35) UTS2RHTR1ACYP2D6DRD2HTR1D

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
WO-2024054955-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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