SCHEMBL8960032

SCHEMBL8960032

COc1ccc2c(c1OC)CCC(NC(=O)C(F)(F)F)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40

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
SCHEMBL11720868 0.85 LMNA (0.71) LMNAKDM4EPOLBMAPTACHE
SCHEMBL6839377 0.85 KDM4E (0.57) LMNAKDM4EPOLBMAPTACHE
SCHEMBL11595431 0.81 KDM4E (0.55) LMNAKDM4EPOLBMAPTACHE
SCHEMBL27371740 0.80 KDM4E (0.55) LMNAKDM4EPOLBMAPTACHE
SCHEMBL8070827 0.79 HTT (0.51) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL8070825 0.79 HTT (0.51) LMNAKDM4EPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL7337871 0.79 KDM4E (0.54) LMNAKDM4EPOLBMAPTACHE
SCHEMBL7331745 0.78 LMNA (0.47) LMNAKDM4EPOLBMAPTACHE
SCHEMBL11592796 0.78 LMNA (0.40) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL21798820 0.77 HTT (0.57) LMNAKDM4EPOLBMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP claimed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US claimed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP claimed
EP-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP disclosed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US disclosed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 US disclosed