SCHEMBL8606014

SCHEMBL8606014

CCOC(=O)CCN1Cc2cc([N+](=O)[O-])ccc2C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
FKBP1A P62942 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1F O60840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL8607230 0.80 DRD2 (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8606011 0.78 MEN1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2105563 0.73 MAPT (0.47) MAPTKDM4EIRAK4ALDH1A1LMNA
SCHEMBL3797765 0.73 MAPT (0.47) MAPTKDM4EIRAK4ALDH1A1LMNA
SCHEMBL8606738 0.73 MAPT (0.44) MAPTKDM4EIRAK4ALDH1A1LMNA
SCHEMBL19795361 0.73 CHRNA7 (0.45) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8607529 0.72 MAPT (0.46) MAPTKDM4EIRAK4ALDH1A1LMNA
SCHEMBL8606018 0.72 MAPT (0.45) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL657283 0.71 MAPT (0.47) MAPTKDM4EIRAK4ALDH1A1LMNA
SCHEMBL3055880 0.71 MGLL (0.56) MAPTALDH1A1LMNAMEN1KMT2A

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
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
CN-1167485-A Tetrahydroisoquinoline derivative and medicinal preparation containing the same TERUMO CORP (JP) 1997-12-10 CN disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed