SCHEMBL30967484

SCHEMBL30967484

N[C@@H](CNC(=O)OCc1ccccc1)CN1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 6/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ CASP9 P55211 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ DPP8 Q6V1X1 3/20 0.31
▸ DPP7 Q9UHL4 3/20 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
SCHEMBL30967457 0.87 SYK (0.43) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL30967543 0.80 SMN1; SMN2 (0.33) LMNASMN1; SMN2TP53ALDH1A1BTK
SCHEMBL30967624 0.79 BTK (0.33) LMNABTK
SCHEMBL30967485 0.73 SCN9A (0.35) —
Hydrochloric Acid SCHEMBL30967504 0.73 SCN9A (0.34) —
SCHEMBL30967546 0.73 DYRK1A (0.36) DRD2
SCHEMBL30967583 0.72 HRH3 (0.32) —
SCHEMBL30967529 0.72 HRH3 (0.32) —
SCHEMBL30967486 0.70 HRH3 (0.32) —
SCHEMBL30967533 0.70 HRH3 (0.34) —

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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