SCHEMBL31074261

SCHEMBL31074261

CCNC(C)(O)c1cccnc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
PLCG1 P19174 1/20 0.33
P2RY1 P47900 1/20 0.33
IDO1 P14902 1/20 0.33
COMT P21964 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SSTR4 P31391 2/20 0.32
KCNN4 O15554 1/20 0.32
FDPS P14324 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
GRM5 P41594 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
SCHEMBL2083721 0.76 P2RX7 (0.39) P2RX7PLCG1P2RY1KDM4EALDH1A1
SCHEMBL2085301 0.75 P2RX7 (0.40) P2RX7IDO1COMTKDM4EALDH1A1
SCHEMBL19040928 0.73 P2RX7 (0.37) P2RX7COMTKDM4ENPC1SMN1; SMN2
SCHEMBL19388381 0.73 P2RX7 (0.37) P2RX7PLCG1COMTKDM4ENPC1
SCHEMBL799554 0.72 CA2 (0.41) P2RX7PLCG1P2RY1KDM4EALDH1A1
SCHEMBL2085704 0.71 P2RX7 (0.38) P2RX7PLCG1KDM4EALDH1A1NPC1
SCHEMBL15193722 0.70 PLCG1 (0.36) P2RX7PLCG1KDM4EALDH1A1NPC1
SCHEMBL3747781 0.69 P2RX7 (0.41) P2RX7PLCG1KDM4ESMN1; SMN2
SCHEMBL18963844 0.69 SLC22A12 (0.37) P2RX7NPC1
SCHEMBL22140286 0.68 P2RX7 (0.33) P2RX7COMTKDM4E

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-4676481-A1 COMBINATION OF BETA-2-ADRENERGIC RECEPTOR AGONISTS AND GLP-1 RECEPTOR AGONISTS FOR USE IN TREATING HYPERGLYCAEMIA Atrogi AB (SE) 2026-01-14 EP disclosed
EP-4665321-A1 COMBINATIONS OF BETA 2-ADRENERGIC RECEPTOR AGONISTS AND METFORMIN FOR USE IN TREATING OBESITY AND REDUCING BODY FAT Atrogi AB (SE) 2025-12-24 EP disclosed
WO-2024184408-A1 COMBINATION OF BETA-2-ADRENERGIC RECEPTOR AGONISTS AND GLP-1 RECEPTOR AGONISTS FOR USE IN TREATING HYPERGLYCAEMIA ATROGI AB (SE) 2024-09-12 WO disclosed
WO-2024170727-A1 COMBINATIONS OF BETA 2-ADRENERGIC RECEPTOR AGONISTS AND METFORMIN FOR USE IN TREATING OBESITY AND REDUCING BODY FAT ATROGI AB (SE) 2024-08-22 WO disclosed