SCHEMBL31336707

SCHEMBL31336707

Cc1c(-c2cnccc2F)c(C(=O)O)nn1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 1/20 0.36
DHODH Q02127 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
GRM5 P41594 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B2 P19099 2/20 0.33
TTR P02766 1/20 0.33
RPS6KA5 O75582 1/20 0.33
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL31336727 0.83 GPBAR1 (0.37) GPBAR1POLBALDH1A1GRM5SLC22A12
SCHEMBL31336692 0.73 KDM4E (0.39) POLBKDM4EALDH1A1GAAAPOBEC3A
SCHEMBL31336683 0.72 GRM5 (0.43) POLBKDM4EALDH1A1GAAAPOBEC3A
SCHEMBL19207031 0.71 HCRTR1 (0.42) POLBKDM4EALDH1A1GAAAPOBEC3A
SCHEMBL31336650 0.71 HCAR2 (0.41) POLBGRM5CYP11B2
SCHEMBL31336769 0.70 JMJD6 (0.39) POLBKDM4EALDH1A1GAAAPOBEC3A
SCHEMBL253745 0.70 MAPT (0.49) POLBALDH1A1GLALMNA
SCHEMBL19207132 0.69 MYC (0.41) POLBKDM4EALDH1A1GAAAPOBEC3A
SCHEMBL23147354 0.67 GRM5 (0.41) POLBKDM4EALDH1A1GAAGRM5
SCHEMBL4594309 0.67 ALDH1A1 (0.40) POLBKDM4EALDH1A1GAAAPOBEC3A

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