SCHEMBL31336643

SCHEMBL31336643

[2H]C([2H])([C@@H]1[C@H](C)OC(F)(F)CN1C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TACR1 P25103 3/20 0.34
TP53 P04637 1/20 0.33
BRD4 O60885 4/20 0.33
CREBBP Q92793 2/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 1/20 0.32
USP1 O94782 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 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
SCHEMBL31336629 0.90 ALDH1A1 (0.35) KDM4EALDH1A1TDP1TACR1TP53
SCHEMBL31336642 0.78 USP2 (0.30)
SCHEMBL31336719 0.77 NR1H2 (0.38) TACR1MEN1KMT2A
SCHEMBL31336605 0.75 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL31336854 0.75 ALDH1A1 (0.41) KDM4EALDH1A1TDP1TP53LMNA
SCHEMBL19540622 0.73 ALDH1A1 (0.36) ALDH1A1TACR1BRD4USP1MEN1
SCHEMBL31336674 0.71 HCRTR1 (0.36)
SCHEMBL31372478 0.70 TP53 (0.46) KDM4EALDH1A1TDP1TACR1TP53
SCHEMBL31372464 0.70 TP53 (0.46) KDM4EALDH1A1TDP1TACR1TP53
SCHEMBL31336903 0.70 HCRTR1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP claimed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed