SCHEMBL29628832

SCHEMBL29628832

Cc1c(OCC2(O)CC2)ccc(C(=O)C(C)CC(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL20607185 1.00 GRM2 (0.35) GRM2MRGPRX4
SCHEMBL20607114 0.91 GRM2 (0.32) GRM2
SCHEMBL20607434 0.89 GRM2 (0.34) GRM2
SCHEMBL29628807 0.89 GRM2 (0.34) GRM2
SCHEMBL20607208 0.88 MEN1 (0.33)
SCHEMBL20607176 0.80 FFAR1 (0.37) GRM2
SCHEMBL29628801 0.80 FFAR1 (0.37) GRM2
SCHEMBL20607453 0.80 PDE4A (0.33) GRM2
SCHEMBL20607475 0.77 P2RX7 (0.32)
SCHEMBL29628743 0.77 P2RX7 (0.32)

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-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 CN disclosed