SCHEMBL26988872

SCHEMBL26988872

Cn1cc(C2CN(c3cc(Br)c([N+](=O)[O-])c(C(=O)O)c3)CCO2)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.31
SPR P35270 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
GSK3B P49841 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL30722815 1.00 P2RX7 (0.33) P2RX7KCNH2MAPTSPRCYP1A2
SCHEMBL26988396 0.90 SIRT6 (0.37) P2RX7KCNH2MAPTSPR
SCHEMBL30722734 0.90 SIRT6 (0.37) P2RX7KCNH2MAPTSPR
SCHEMBL31360909 0.80 POLB (0.34) P2RX7KCNH2MAPTCYP1A2CYP2D6
SCHEMBL26988922 0.73 P2RX7 (0.35) P2RX7CYP1A2CYP2D6GSK3B
SCHEMBL31411026 0.73 P2RX7 (0.35) P2RX7CYP1A2CYP2D6GSK3B
SCHEMBL31360827 0.72 CHRNB2 (0.34) P2RX7
SCHEMBL26988926 0.70 PDE2A (0.37) P2RX7SPRCYP1A2CYP2D6GSK3B
SCHEMBL31360856 0.70 P2RX7 (0.34) P2RX7CYP1A2CYP2D6GSK3B
SCHEMBL34470579 0.67 GSK3B (0.38) P2RX7KCNH2CYP1A2CYP2D6GSK3B

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-4551575-A2 TREM2 MODULATORS Muna Therapeutics ApS (DK) 2025-05-14 EP disclosed
WO-2024008722-A2 TREM2 MODULATORS MUNA THERAPEUTICS APS (DK) 2024-01-11 WO disclosed