SCHEMBL9878072

SCHEMBL9878072

CC(N)C1Oc2ccccc2OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
ABCB1 P08183 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30

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
SCHEMBL13783751 0.71 LMNA (0.44) HSP90AA1MAPTNPSR1LMNAKCNE1
SCHEMBL31193204 0.69 LMNA (0.36) HSP90AA1MAPTNPSR1LMNAKCNE1
SCHEMBL28629708 0.67 ATM (0.40) HSP90AA1MAPTNPSR1LMNAKCNE1
SCHEMBL13821303 0.65 KDM4E (0.34) MAPTLMNA
SCHEMBL28943133 0.65 CYP2D6 (0.39) HTR2AMAPTNPSR1LMNA
SCHEMBL24193348 0.64 CRHBP (0.38) HSP90AA1MAPTNPSR1LMNAABCB1
SCHEMBL20275983 0.63 KDM4E (0.33) MAPTLMNA
SCHEMBL4461156 0.62 LMNA (0.54) MAPTNPSR1LMNA
SCHEMBL24151289 0.62 KCNE1 (0.42) HTR2ANPSR1LMNAABCB1KCNE1
SCHEMBL13752382 0.62 CA2 (0.43) MAPTNPSR1LMNA

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-0429535-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-05 EP disclosed
EP-0359400-A1 Fungicidal benzodioxane amine derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-21 EP disclosed
WO-1990002122-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-08 WO disclosed