SCHEMBL12809346

SCHEMBL12809346

C#CC(C)CCc1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
CHRNA7 P36544 1/20 0.44
CASR P41180 2/20 0.43
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL6254564 0.82 LOXL2 (0.55) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL13064053 0.77 LOXL2 (0.49) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL6252974 0.76 LOXL2 (0.51) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL31059889 0.76 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL7169246 0.76 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL14158511 0.76 LOXL2 (0.56) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL1724157 0.76 LOXL2 (0.59) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL28483740 0.74 LOXL2 (0.53) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL28335219 0.74 LOXL2 (0.67) LOXL2MTNR1AMTNR1BHRH3CHRNA7
SCHEMBL28117187 0.74 MTNR1A (0.51) LOXL2MTNR1AMTNR1BHRH3CHRNA7

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-1814848-B9 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-12-21 EP disclosed
EP-1814848-B1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2010-07-28 EP disclosed