SCHEMBL7067040

SCHEMBL7067040

C#CCN1CCN(CCCC[O])CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
PAOX Q6QHF9 1/20 0.32
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 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
SCHEMBL1097082 0.94 MAOB (0.33) MAOAMAOBBCHE
SCHEMBL1097489 0.85 MAOB (0.35) MAOAMAOBBCHE
SCHEMBL7067043 0.79 ALDH1A1 (0.38) HRH3MAOBPAOXMAPTBCHE
SCHEMBL4495949 0.79 MAPT (0.45) HRH3PAOXMAPT
SCHEMBL26608165 0.77 MAOB (0.35) HRH3MAOAMAOB
SCHEMBL1097084 0.77 ALDH1A1 (0.39) HRH3MAOBBCHE
SCHEMBL27829264 0.77 GNAI3 (0.44) MAOAMAOBGNAI3GNAO1GNAI1
SCHEMBL24247404 0.76 LMNA (0.40) MAOAMAOBBCHE
SCHEMBL15870032 0.76 LMNA (0.40) MAOAMAOBBCHE
SCHEMBL1769287 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed