SCHEMBL30967599

SCHEMBL30967599

CN(CCCC[C@@H](CN1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.35
▸ MDM4 O15151 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL30967506 0.81 TRPV4 (0.31) —
SCHEMBL30967507 0.81 TRPV4 (0.31) —
SCHEMBL30967480 0.79 TRPV4 (0.33) —
SCHEMBL30967635 0.76 GPR119 (0.30) —
SCHEMBL30967476 0.75 MDM2 (0.32) MDM2TLR2TLR1HDAC1HDAC2
SCHEMBL30967457 0.74 SYK (0.43) —
SCHEMBL29763156 0.70 MDM2 (0.54) MDM2MDM4TP53TLR2
SCHEMBL12346100 0.70 MDM2 (0.54) MDM2MDM4TP53TLR2
SCHEMBL18795320 0.70 MDM2 (0.54) MDM2MDM4TP53TLR2
SCHEMBL30967546 0.69 DYRK1A (0.36) —

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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