SCHEMBL30812175

SCHEMBL30812175

CC(C)(O)c1ccc(OC2CC3(C2)CN(CCC2CCNCC2)C3)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 17/20 0.35
▸ 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
▸ BRD4 O60885 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ MAP3K5 Q99683 1/20 0.31

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
SCHEMBL30812059 0.82 UTS2R (0.38) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30812199 0.77 BRD4 (0.48) BRD4HDAC1HDAC6
SCHEMBL27393380 0.76 UTS2R (0.34) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30824772 0.76 UTS2R (0.34) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30824826 0.73 UTS2R (0.34) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL27391581 0.73 UTS2R (0.34) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30812132 0.73 IKBKB (0.39) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL31246021 0.69 UTS2R (0.35) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL30824928 0.68 TDP1 (0.48) CYP2D6
SCHEMBL30824929 0.68 TDP1 (0.48) CYP2D6

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
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