SCHEMBL31336748

SCHEMBL31336748

O=C(O)c1nn2c(c1-c1ncc(F)cn1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.38
TGFBR1 P36897 8/20 0.37
MAPK14 Q16539 2/20 0.37
KMT2A Q03164 1/20 0.34
CSNK1D P48730 2/20 0.33
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 1/20 0.31
GRM5 P41594 1/20 0.30
GAK O14976 1/20 0.30
RIPK2 O43353 1/20 0.30
MAP4K4 O95819 1/20 0.30
KDR P35968 1/20 0.30
ACVR1B P36896 1/20 0.30
TGFBR2 P37173 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1E P49674 1/20 0.30
TGFB2 P61812 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
COQ8A Q8NI60 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
SCHEMBL31336736 0.82 THRB (0.33) THRBTGFBR1MAPK14
SCHEMBL31336853 0.77 THRB (0.38) THRBTGFBR1MAPK14CSNK1D
SCHEMBL19207031 0.69 HCRTR1 (0.42) KMT2AALDH1A1GRM5
SCHEMBL29777610 0.68 KDM4E (0.35) THRBTGFBR1MAPK14KMT2AALDH1A1
SCHEMBL28480405 0.68
SCHEMBL31066340 0.66 CYP1A2 (0.40) TGFBR1KMT2AALDH1A1
SCHEMBL31336668 0.66 HCRTR1 (0.36) GRM5
SCHEMBL31336696 0.66 HCRTR1 (0.36) HCAR2GRM5
SCHEMBL26978255 0.65 KMT2A (0.33) KMT2AHCAR2ALDH1A1
SCHEMBL31066452 0.65 NPC1 (0.40) KMT2AALDH1A1

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 8 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
EP-4688155-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
WO-2025023852-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
EP-4688155-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
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed