SCHEMBL7323504

SCHEMBL7323504

O=C1CC=C2C=CC=CN2C1.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL20262983 0.92 KDM4E (0.35) MMP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL4554901 0.90 KDM4E (0.36) MMP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL7323517 0.87 MMP1 (0.33) MMP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL11269500 0.64 KDM4E (0.38) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL28174881 0.61 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL9614868 0.60
Hydrochloric Acid SCHEMBL28618463 0.60 KDM4E (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL16961416 0.59
SCHEMBL6850234 0.59
SCHEMBL11499500 0.59 KDM4E (0.41) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329904-A1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for the treatment of anxiety MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0329932-A2 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments MERRELL PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed