SCHEMBL31411026

SCHEMBL31411026

COC(=O)c1cc(N2CCOC(c3cnn(C)c3)C2)cc(-c2ccc(Cl)cc2F)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.35
PDE2A O00408 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
GRM2 Q14416 3/20 0.32
GSK3B P49841 3/20 0.32
RXRB P28702 1/20 0.32
WDR5 P61964 2/20 0.32
PDE10A Q9Y233 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KIT P10721 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL26988922 1.00 P2RX7 (0.35) P2RX7PDE2ASIRT6GRM2GSK3B
SCHEMBL26988409 0.88 P2RX7 (0.36) P2RX7PDE2AGRM2GSK3BRXRB
SCHEMBL30722734 0.82 SIRT6 (0.37) P2RX7SIRT6
SCHEMBL26988396 0.82 SIRT6 (0.37) P2RX7SIRT6
SCHEMBL26988926 0.81 PDE2A (0.37) P2RX7PDE2AGRM2GSK3BWDR5
SCHEMBL34470911 0.78 P2RX7 (0.37) P2RX7PDE2AGRM2GSK3BRXRB
SCHEMBL34470593 0.78 GSK3B (0.38) P2RX7PDE2AGRM2GSK3BRXRB
SCHEMBL31330662 0.78 P2RX7 (0.37) P2RX7PDE2AGRM2GSK3BRXRB
SCHEMBL34470460 0.77 GSK3B (0.39) P2RX7PDE2AGRM2GSK3BRXRB
SCHEMBL31330481 0.77 P2RX7 (0.39) P2RX7PDE2AGSK3BCYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403806-A TREM2 modulators 穆纳治疗有限公司 2025-02-07 CN disclosed