SCHEMBL26987997

SCHEMBL26987997

C[C@H]1Cn2ncc(N)c2C(=O)N1c1ccc(C(F)(F)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.38
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 2/20 0.31
HIF1A Q16665 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL26992429 1.00 GRM2 (0.38) GRM2KCNH2P2RX7HIF1APTGS1
SCHEMBL26989522 0.89 GRM2 (0.47) GRM2KCNH2HIF1A
SCHEMBL26988136 0.89 GRM2 (0.47) GRM2KCNH2HIF1A
SCHEMBL26987924 0.85 GRM2 (0.39) GRM2KCNH2
SCHEMBL26988260 0.85 GRM2 (0.39) GRM2KCNH2
SCHEMBL26988022 0.83 GRM2 (0.37) GRM2KCNH2
SCHEMBL26989451 0.83 GRM2 (0.37) GRM2KCNH2
SCHEMBL26988247 0.80 GRM2 (0.37) GRM2KCNH2HIF1APTGS1PTGS2
SCHEMBL26988379 0.80 GRM2 (0.37) GRM2KCNH2HIF1APTGS1PTGS2
SCHEMBL26992424 0.79 GRM2 (0.58) GRM2KCNH2

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
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed