SCHEMBL31336692

SCHEMBL31336692

Cc1c(-c2cnccn2)c(C(=O)O)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
HSD11B1 P28845 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
APOBEC3A P31941 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL31336623 0.81 MEN1 (0.35) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL31336769 0.76 JMJD6 (0.39) KDM4EALDH1A1POLBGAAAPOBEC3A
SCHEMBL31336683 0.75 GRM5 (0.43) KDM4EALDH1A1NPC1RAB9ADHODH
SCHEMBL19207132 0.75 MYC (0.41) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL31336707 0.73 GPBAR1 (0.38) KDM4EALDH1A1DHODHPOLBGAA
SCHEMBL31336740 0.73 POLB (0.50) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL19207028 0.72 HCRTR1 (0.41) KDM4ENAPRTHCAR2ALDH1A1TDP1
SCHEMBL19207031 0.72 HCRTR1 (0.42) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL253745 0.70 MAPT (0.49) ALDH1A1NPC1RAB9APOLBMEN1
SCHEMBL31336650 0.69 HCAR2 (0.41) HCAR2POLB

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