SCHEMBL26989451

SCHEMBL26989451

CC1Cn2ncc(NC(=O)O)c2C(=O)N1c1ccc(C(F)(F)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.37
KCNH2 Q12809 1/20 0.32
SMO Q99835 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
NTRK1 P04629 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
TP53 P04637 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
SCHEMBL26988022 1.00 GRM2 (0.37) GRM2KCNH2SMOTRPV1NTRK1
SCHEMBL26988490 0.91 GRM2 (0.43) GRM2KCNH2TRPV1
SCHEMBL27132478 0.91 GRM2 (0.43) GRM2KCNH2TRPV1
SCHEMBL26987924 0.85 GRM2 (0.39) GRM2KCNH2SMO
SCHEMBL26988260 0.85 GRM2 (0.39) GRM2KCNH2SMO
SCHEMBL26988339 0.83 GRM2 (0.35) GRM2TRPV1NTRK1ACSS2TP53
SCHEMBL26988236 0.83 GRM2 (0.35) GRM2TRPV1NTRK1ACSS2TP53
SCHEMBL26992429 0.83 GRM2 (0.38) GRM2KCNH2
SCHEMBL26987997 0.83 GRM2 (0.38) GRM2KCNH2
SCHEMBL26988523 0.81 GRM2 (0.55) 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