SCHEMBL10501324

SCHEMBL10501324

CCCCCC1COC(c2ccc(CCC)c(C#N)c2)OC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL10502093 0.95 MEN1 (0.33) GRM2
SCHEMBL10501839 0.95 GRM2 (0.33) GRM2
SCHEMBL10501915 0.94 TSHR (0.35) GRM2
SCHEMBL10501930 0.92 GRM2 (0.35) GRM2
SCHEMBL9453989 0.84 CYP11B1 (0.34) GRM2
SCHEMBL10780368 0.82 PRSS1 (0.38) GRM2
SCHEMBL10350015 0.82 CYP11B1 (0.41) GRM2
SCHEMBL10501859 0.81 CYP11B1 (0.40) GRM2
SCHEMBL10501185 0.81 CYP11B1 (0.40) GRM2
SCHEMBL10502378 0.81 CYP11B1 (0.40) GRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154840-B1 LIQUID CRYSTAL COMPOUNDS MERCK PATENT GmbH (DE) 1989-01-25 — — EP disclosed
US-4704227-A DERIVATIVES OF 1,3-DIOXANE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-11-03 — — US disclosed
EP-0154840-A2 Liquid crystal compounds MERCK PATENT GmbH (DE) 1985-09-18 — — EP disclosed
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