SCHEMBL30812132

SCHEMBL30812132

CC(C)(O)c1ccc(OC2CC(OC3CCNCC3)C2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ UTS2R Q9UKP6 15/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ CYP3A43 Q9HB55 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL30824772 0.84 UTS2R (0.34) IKBKBCHUKUTS2RTBK1HTR1A
SCHEMBL27393380 0.84 UTS2R (0.34) IKBKBCHUKUTS2RTBK1HTR1A
SCHEMBL30812305 0.84 IKBKB (0.34) IKBKBCHUKUTS2RTBK1HTR1A
SCHEMBL30824826 0.79 UTS2R (0.34) IKBKBCHUKUTS2RTBK1HTR1A
SCHEMBL27391581 0.79 UTS2R (0.34) IKBKBCHUKUTS2RTBK1HTR1A
SCHEMBL21851287 0.76 NPY1R (0.35) TBK1SLC6A4
SCHEMBL30812308 0.76 NPY1R (0.35) IKBKBTBK1
SCHEMBL31246021 0.73 UTS2R (0.35) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30812175 0.73 UTS2R (0.35) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30812266 0.73 IKBKB (0.41) IKBKBCHUKUTS2RTBK1HTR2C

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
Send feedback