SCHEMBL31336798

SCHEMBL31336798

Cc1c(-c2ccc(F)cn2)c(C(=O)OC(C)(C)C)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
GRM5 P41594 5/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
JMJD6 Q6NYC1 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
SCHEMBL31336717 0.92 GABRA5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336886 0.84 POLB (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336792 0.83 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336683 0.82 GRM5 (0.43) GABRA5GRM5LMNAKDM4EPOLB
SCHEMBL31336623 0.79 MEN1 (0.35) CNR1CNR2KDM4ERAB9AKMT2A
SCHEMBL31336839 0.77 CYP11B2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336689 0.77 HCRTR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336773 0.77 HCRTR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336727 0.76 GPBAR1 (0.37) GRM5CNR1CNR2LMNAPOLB
SCHEMBL19207114 0.76 HCRTR1 (0.39) GABRA1GABRG2GABRB3GABRA5CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO disclosed
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