SCHEMBL29352179

SCHEMBL29352179

CC(C)(C)c1cccc(CC2CN[C@H](C(=O)O)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 5/20 0.50
▸ F2 P00734 7/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ARG1 P05089 1/20 0.39
▸ MASP2 O00187 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL11247986 0.88 F2 (0.51) GRIK1F2HRH3MASP2
SCHEMBL11247984 0.88 F2 (0.51) GRIK1F2HRH3MASP2
SCHEMBL23118028 0.84 GRIK1 (0.49) GRIK1F2HRH3ARG1MASP2
SCHEMBL20746440 0.83 GRIK1 (0.53) GRIK1F2HRH3ARG1
SCHEMBL29350039 0.83 GRIK1 (0.53) GRIK1F2HRH3ARG1
Hydrochloric Acid SCHEMBL30405343 0.82 GRIK1 (0.54) GRIK1F2HRH3ARG1
SCHEMBL3182082 0.81 EED (0.53) GRIK1CYP1A2
SCHEMBL1706921 0.81 HRH3 (0.54) GRIK1F2HRH3ARG1MASP2
SCHEMBL22536533 0.81 HRH3 (0.54) GRIK1F2HRH3ARG1MASP2
SCHEMBL19292680 0.81 HRH3 (0.54) GRIK1F2HRH3ARG1MASP2

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
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 — — CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 — — CN disclosed
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