SCHEMBL7089075

SCHEMBL7089075

c1ccc2c(c1)CC1CCC(C3OCCO3)CC1C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.36
PSEN2 P49810 13/20 0.36
APH1B Q8WW43 13/20 0.36
NCSTN Q92542 13/20 0.36
APH1A Q96BI3 13/20 0.36
PSENEN Q9NZ42 13/20 0.36
PLAU P00749 1/20 0.33
ADRA2A P08913 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
SCHEMBL7687506 0.84 IDO1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2343768 0.77 IDO1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7686972 0.76 IDO1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7085244 0.71 PLAU (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29949831 0.68 PLAU (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14760073 0.68 PLAU (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14990041 0.68 PLAU (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22309128 0.67 IDO1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5693079 0.66 PLAU (0.60) PLAU
SCHEMBL7853724 0.66 CHRM2 (0.42)

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-1010694-B1 Spiroimidazoline derivatives and their use as alpha2-adrenergic antagonists and monoamines-reuptake blockers SERVIER LAB (FR) 2003-08-06 EP disclosed
US-6172097-B1 Spiro imidazoline compounds ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
EP-1010694-A2 Spiroimidazoline derivatives and their use as alpha2-adrenergic antagonists and monoamines-reuptake blockers ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed