SCHEMBL6636263

SCHEMBL6636263

CC(C)(C)OC(=O)N1C[C@H]2CCCN(Cc3ccccc3)C[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
BCHE P06276 4/20 0.48
GPR119 Q8TDV5 2/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
STS P08842 1/20 0.47
MAOB P27338 2/20 0.47
USP30 Q70CQ3 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6636257 1.00 JAK2 (0.52) JAK2JAK1ALDH1A1KDM4EHPGD
SCHEMBL6636259 1.00 JAK2 (0.52) JAK2JAK1ALDH1A1KDM4EHPGD
SCHEMBL17228284 0.93 JAK2 (0.54) JAK2JAK1ALDH1A1KDM4EHPGD
SCHEMBL16963755 0.93 JAK2 (0.56) JAK2JAK1KDM4EGPR119KCNK3
SCHEMBL3642479 0.93 JAK2 (0.56) JAK2JAK1KDM4EGPR119KCNK3
SCHEMBL649847 0.89 KCNK3 (0.55) JAK2JAK1GPR119KCNK3KCNK9
SCHEMBL16053284 0.89 KCNK3 (0.55) JAK2JAK1GPR119KCNK3KCNK9
SCHEMBL584450 0.89 KCNK3 (0.55) JAK2JAK1GPR119KCNK3KCNK9
SCHEMBL3335624 0.88 JAK2 (0.62) JAK2JAK1KDM4EGPR119KCNK3
SCHEMBL8056077 0.88 JAK2 (0.58) JAK2JAK1KDM4EBCHEGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061076-B1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-12-08 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed