SCHEMBL8992294

SCHEMBL8992294

O[C@H]1[C@H]2O[C@H]2CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAOB P27338 9/20 0.35
MAOA P21397 6/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.33
CACNA1F O60840 1/20 0.33
AR P10275 1/20 0.33
PDE4A P27815 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN11A Q9UI33 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
SCHEMBL8992309 1.00 ALDH1A1 (0.37) ALDH1A1MAOBMAOAPTGS2LMNA
SCHEMBL24390660 0.71 ALDH1A1 (0.38) ALDH1A1MAOBMAOAPTGS2LMNA
SCHEMBL9846435 0.63 LMNA (0.33) ALDH1A1MAOBMAOALMNAKCNH2
SCHEMBL11882335 0.63 MAOB (0.44) MAOBMAOACACNA1FARPDE4A
SCHEMBL7000753 0.63 MAOB (0.62) MAOBMAOAKDM1A
SCHEMBL8845508 0.63 MAOB (0.45) MAOBMAOACACNA1FARPDE4A
SCHEMBL5076521 0.63 MAOB (0.44) ALDH1A1MAOBMAOALMNACACNA1F
SCHEMBL22672887 0.63 LMNA (0.41) ALDH1A1MAOBPTGS2LMNACACNA1F
SCHEMBL22436648 0.63 HTR1A (0.44) MAOBMAOAALOX5AP
SCHEMBL13953489 0.63 SLC18A3 (0.41) MAOBMAOAKDM1A

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-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed