SCHEMBL14604954

SCHEMBL14604954

CCCOc1ccc2c(c1)CCC2=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.65
HRH3 Q9Y5N1 4/20 0.63
MAOA P21397 4/20 0.55
BRD4 O60885 1/20 0.51
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
SLC2A1 P11166 1/20 0.49

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
SCHEMBL8272631 0.94 MAOB (0.69) MAOBHRH3MAOABRD4HTR1A
SCHEMBL27974960 0.91 MAOB (0.66) MAOBHRH3MAOABRD4HTR1A
SCHEMBL6825904 0.91 MAOB (0.67) MAOBHRH3MAOA
SCHEMBL1030417 0.89 MAOB (0.64) MAOBHRH3MAOABRD4HTR1A
SCHEMBL8652023 0.87 BRD4 (0.65) MAOBHRH3MAOABRD4
SCHEMBL1915443 0.87 MAOB (0.60) MAOBHRH3MAOABRD4
SCHEMBL4815741 0.86 MAOB (0.63) MAOBHRH3MAOAHTR1ADRD4
SCHEMBL27829011 0.84 MAOB (0.66) MAOBHRH3MAOABRD4HTR1A
SCHEMBL9222772 0.84 MAOB (0.69) MAOBHRH3MAOA
SCHEMBL30548374 0.84 MAOB (0.65) MAOBHRH3MAOAHTR1ADRD4

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
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed