SCHEMBL7091601

SCHEMBL7091601

O=C1CCC2Cc3ccccc3CC2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
ANPEP P15144 2/20 0.37
NOTUM Q6P988 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADRA2A P08913 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
SCHEMBL7091599 1.00 PLAU (0.41) PLAUCYP1A2CYP2A6PSEN1PSEN2
SCHEMBL7091597 1.00 PLAU (0.41) PLAUCYP1A2CYP2A6PSEN1PSEN2
SCHEMBL25369464 0.94 PLAU (0.48) PLAUCYP2A6ANPEPMTNR1AMTNR1B
SCHEMBL30588972 0.94 PLAU (0.48) PLAUCYP2A6ANPEPMTNR1AMTNR1B
SCHEMBL5693079 0.80 PLAU (0.60) PLAUANPEPMTNR1AMTNR1BCA1
SCHEMBL10389935 0.79 MAPK1 (0.32)
SCHEMBL16466258 0.79 MAPK1 (0.32)
SCHEMBL6458908 0.79 SHBG (0.33)
SCHEMBL14791326 0.79 SHBG (0.33)
SCHEMBL6458899 0.79 SHBG (0.33)

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