SCHEMBL31336808

SCHEMBL31336808

Cc1cc(-c2ncccn2)c(O)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CCR1 P32246 3/20 0.34
CCR8 P51685 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM1A O60341 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL31336815 0.77 NOS3 (0.41) CCR1CCR8CYP1A2CYP3A4CYP2C19
SCHEMBL31336616 0.75 TDP1 (0.38) CYP1A2CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL3894660 0.73 CYP19A1 (0.35) CYP19A1CCR1CCR8CYP1A2CYP3A4
SCHEMBL31336841 0.73 CCR1 (0.35) CCR1CCR8CYP1A2CYP3A4CYP2C19
SCHEMBL16385309 0.72 ALDH1A1 (0.48) CYP19A1CCR1CCR8CYP1A2CYP3A4
SCHEMBL31336812 0.72 ALOX15 (0.42) ALDH1A1MAPTATMHTTKDM4E
SCHEMBL22332415 0.69 KDM4E (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL16231621 0.68 KDM4E (0.40) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL20743957 0.67 KDM1A (0.33) CYP19A1KDM1AMKNK1MKNK2
SCHEMBL30961368 0.65 CYP19A1 (0.32) CYP19A1CCR1CCR8CYP3A4KDM1A

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 disclosed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed