SCHEMBL6195705

SCHEMBL6195705

CCOC(=O)N1CCN(CCc2cc(-c3cc(Cl)ccc3F)on2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.62
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL6194127 0.91 KCNH2 (0.51) KCNH2ALDH1A1KMT2ATSHRHTT
SCHEMBL5958447 0.90 KCNH2 (0.69) KCNH2ALDH1A1KMT2ATSHRHTT
SCHEMBL6197011 0.87 HRH1 (0.51) KCNH2ALDH1A1KMT2ALMNACYP1A2
SCHEMBL6196921 0.85 KCNH2 (0.49) KCNH2ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6192997 0.83 KCNH2 (0.61) KCNH2ALDH1A1KMT2ATSHRHTT
SCHEMBL5958370 0.81 KCNH2 (0.57) KCNH2ALDH1A1KMT2AHTTLMNA
SCHEMBL5958437 0.80 KCNH2 (0.56) KCNH2KMT2ATSHRHTTMAPT
SCHEMBL5958409 0.78 KCNH2 (0.54) KCNH2ALDH1A1KMT2AHTTLMNA
SCHEMBL5958585 0.77 KCNH2 (0.54) KCNH2ALDH1A1KMT2ATSHRHTT
SCHEMBL6195921 0.77 KMT2A (0.51) KCNH2ALDH1A1KMT2ATSHRHTT

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
WO-2005077373-A2 TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (SE) 2005-08-25 WO claimed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP claimed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 WO claimed
WO-2005077373-A2 TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (SE) 2005-08-25 WO disclosed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP disclosed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 WO disclosed