SCHEMBL31336634

SCHEMBL31336634

[2H]C([2H])([2H])n1nc(C=O)c(-c2ccc(F)cn2)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
CSNK1D P48730 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
SLC34A1 Q06495 2/20 0.30
GRM5 P41594 1/20 0.30
NPC1 O15118 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL31336880 0.90 PDE2A (0.39) PDE2ACSNK1DMAPK14KDM4CSLC34A1
SCHEMBL31336633 0.83 KDM4C (0.30) KDM4C
SCHEMBL31336654 0.77 GRM5 (0.38) CSNK1DMAPK14GRM5NPC1RXFP1
SCHEMBL28927799 0.73 HCRTR1 (0.33) PDE2AKDM4C
SCHEMBL31336717 0.72 GABRA5 (0.38) GRM5
SCHEMBL31336831 0.71 CCR1 (0.33) PDE2AKDM4CNPC1
SCHEMBL31336809 0.71 POLB (0.40) PDE2ANPC1RXFP1
SCHEMBL31336916 0.69
SCHEMBL31336898 0.68 CSNK1D (0.44) CSNK1DMAPK14
SCHEMBL31336683 0.67 GRM5 (0.43) CSNK1DMAPK14GRM5NPC1RXFP1

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 2 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
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed