SCHEMBL31336650

SCHEMBL31336650

Cc1c(-c2cncc(F)c2)c(C(=O)O)nn1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
CYP11B2 P19099 12/20 0.38
CYP11B1 P15538 4/20 0.38
PRNP P04156 1/20 0.35
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.33
DYRK1A Q13627 2/20 0.33
GRM5 P41594 2/20 0.33
GSK3B P49841 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
SCHEMBL31336839 0.82 CYP11B2 (0.36) CYP11B2CYP11B1PRNPDYRK1A
SCHEMBL31336944 0.76 CYP11B2 (0.38) CYP11B2CYP11B1BRD4
SCHEMBL19207031 0.75 HCRTR1 (0.42) POLBGRM5
SCHEMBL253745 0.74 MAPT (0.49) POLB
SCHEMBL31336683 0.73 GRM5 (0.43) POLBGRM5
SCHEMBL31336769 0.71 JMJD6 (0.39) POLBGRM5
SCHEMBL31336707 0.71 GPBAR1 (0.38) CYP11B2POLBGRM5
SCHEMBL23147354 0.70 GRM5 (0.41) POLBGRM5
SCHEMBL31336692 0.69 KDM4E (0.39) HCAR2POLB
SCHEMBL4772395 0.68 HCAR2 (0.42) HCAR2CYP11B2CYP11B1DYRK1A

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