SCHEMBL4399490

SCHEMBL4399490

Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.62
ROCK2 O75116 10/20 0.55
ROCK1 Q13464 10/20 0.55
PRKD3 O94806 3/20 0.48
PRKCG P05129 3/20 0.48
PRKCB P05771 3/20 0.48
CYP3A4 P08684 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCH P24723 3/20 0.48
PRKCI P41743 3/20 0.48
PRKCE Q02156 3/20 0.48
PRKCQ Q04759 3/20 0.48
PRKCZ Q05513 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKD1 Q15139 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
PRKACA P17612 2/20 0.48
PRKACG P22612 2/20 0.48
PRKACB P22694 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3142951 0.90 HTR6 (0.62) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3156809 0.90 HTR6 (0.62) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3152855 0.89 HTR6 (0.78) HTR6MEN1KMT2A
Hydrochloric Acid SCHEMBL4397292 0.89 HTR6 (0.61) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3157039 0.88 HTR6 (0.80) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL5818142 0.84 ROCK2 (0.55) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3152545 0.84 HTR6 (0.78) HTR6EPHX2SMN1; SMN2
SCHEMBL3156052 0.84 HTR6 (0.80) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3142862 0.83 HTR6 (0.64) HTR6
SCHEMBL3138523 0.83 HTR6 (0.62) HTR6CYP3A4CYP1A2CYP2D6NFKB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed