SCHEMBL30812217

SCHEMBL30812217

CCS(=O)(=O)c1ccc(OCC(CCCN2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ GPR119 Q8TDV5 13/20 0.40
▸ MMP13 P45452 3/20 0.38
▸ ABCB1 P08183 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
SCHEMBL30812085 0.85 PKM (0.40) GPR119ABCB1
SCHEMBL30812071 0.85 BRD4 (0.43) BRD4GPR119MMP13
SCHEMBL30811971 0.81 BRD4 (0.70) BRD4
SCHEMBL30812078 0.79 POLB (0.34) —
SCHEMBL30812273 0.78 BRD4 (0.49) BRD4
SCHEMBL27393072 0.77 GPR119 (0.47) GPR119
SCHEMBL30824813 0.77 GPR119 (0.47) GPR119
SCHEMBL15068074 0.75 BRD4 (0.59) BRD4GPR119
SCHEMBL30824886 0.73 RXFP1 (0.44) BRD4GPR119
SCHEMBL27390617 0.73 RXFP1 (0.44) BRD4GPR119

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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