SCHEMBL7085244

SCHEMBL7085244

NC1CCC2Cc3ccccc3CC2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
ANPEP P15144 2/20 0.39
IDO1 P14902 2/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 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
SCHEMBL13866807 0.78 PLAU (0.52) PLAUANPEPIDO1PSEN1PSEN2
SCHEMBL15043375 0.78 PLAU (0.52) PLAUANPEPIDO1PSEN1PSEN2
SCHEMBL5069739 0.78 PLAU (0.52) PLAUANPEPIDO1PSEN1PSEN2
SCHEMBL6108075 0.78 PLAU (0.52) PLAUANPEPIDO1PSEN1PSEN2
SCHEMBL2343768 0.77 IDO1 (0.46) PLAUANPEPIDO1PSEN1PSEN2
SCHEMBL14990041 0.72 PLAU (0.44) PLAUIDO1PSEN1PSEN2APH1B
SCHEMBL29949831 0.72 PLAU (0.44) PLAUIDO1PSEN1PSEN2APH1B
SCHEMBL14760073 0.72 PLAU (0.44) PLAUIDO1PSEN1PSEN2APH1B
SCHEMBL29365759 0.71 PLAU (0.68) PLAUANPEPIDO1SIGMAR1
SCHEMBL6941 0.71 PLAU (0.68) PLAUANPEPIDO1SIGMAR1

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
EP-1010694-B1 Spiroimidazoline derivatives and their use as alpha2-adrenergic antagonists and monoamines-reuptake blockers SERVIER LAB (FR) 2003-08-06 EP 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