SCHEMBL30967475

SCHEMBL30967475

[2H]C([2H])(NC(=O)c1cccc(-c2noc(C)n2)c1)C([2H])([2H])N1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 6/20 0.39
▸ KIFC1 Q9BW19 7/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 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
SCHEMBL30967456 0.91 DRD3 (0.44) DRD3KIFC1DRD2HTR2ATP53
SCHEMBL30967629 0.91 DRD3 (0.44) DRD3KIFC1DRD2HTR2ATP53
SCHEMBL30967686 0.87 KIFC1 (0.35) DRD3KIFC1HDAC4HDAC7HDAC8
SCHEMBL30967523 0.85 STAT3 (0.31) HDAC8HDAC6STAT3HDAC1
SCHEMBL30967460 0.81 DRD3 (0.44) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967608 0.81 DRD3 (0.46) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967687 0.81 KIFC1 (0.47) DRD3KIFC1DRD2HTR2AKCNH2
SCHEMBL30967528 0.78 KIFC1 (0.39) DRD3KIFC1HDAC4HDAC7HDAC8
SCHEMBL30967538 0.78 CACNA2D1 (0.32) DRD3DRD2HDAC8HDAC6STAT3
SCHEMBL30967529 0.75 HRH3 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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