SCHEMBL26988136

SCHEMBL26988136

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.47
KCNH2 Q12809 1/20 0.42
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL26989522 1.00 GRM2 (0.47) GRM2KCNH2CCR1CCR2HIF1A
SCHEMBL26987997 0.89 GRM2 (0.38) GRM2KCNH2HIF1A
SCHEMBL26992429 0.89 GRM2 (0.38) GRM2KCNH2HIF1A
SCHEMBL26988639 0.83 GRM2 (0.45) GRM2KCNH2CCR1CCR2
SCHEMBL26989401 0.83 GRM2 (0.45) GRM2KCNH2CCR1CCR2
SCHEMBL26988490 0.80 GRM2 (0.43) GRM2KCNH2CCR1CCR2
SCHEMBL27132478 0.80 GRM2 (0.43) GRM2KCNH2CCR1CCR2
SCHEMBL26988210 0.78 GRM2 (0.47) GRM2KCNH2CCR1CCR2HIF1A
SCHEMBL26988499 0.78 GRM2 (0.47) GRM2KCNH2CCR1CCR2HIF1A
SCHEMBL17490684 0.77 GRM2 (0.72) 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 2 patents. 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
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed