SCHEMBL4789302

SCHEMBL4789302

CCN(CC)CC1Cc2cc(C)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.45
EZH2 Q15910 1/20 0.34
S1PR4 O95977 2/20 0.33
SIRT2 Q8IXJ6 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
METAP1 P53582 1/20 0.30

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
SCHEMBL4790525 0.91 AQP1 (0.56) AQP1EZH2SIRT2HRH4HRH3
SCHEMBL6047925 0.88 AQP1 (0.44) AQP1EZH2S1PR4SIRT2HRH4
SCHEMBL4968887 0.85 AQP1 (0.41) AQP1EZH2SIRT2HRH4HRH3
SCHEMBL5147171 0.84 AQP1 (0.58) AQP1EZH2SIRT2HRH4HRH3
SCHEMBL4220746 0.83 AQP1 (0.60) AQP1EZH2S1PR4SIRT2HRH4
SCHEMBL4831109 0.83 AQP1 (0.40) AQP1EZH2S1PR4SIRT2METAP1
SCHEMBL4231582 0.83 AQP1 (0.40) AQP1EZH2S1PR4METAP1
SCHEMBL6047924 0.82 AQP1 (0.41) AQP1EZH2S1PR4
SCHEMBL4220767 0.81 AQP1 (0.64) AQP1EZH2S1PR4HRH4HRH3
SCHEMBL4220770 0.81 AQP1 (0.49) AQP1EZH2S1PR4SIRT2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed