SCHEMBL6689692

SCHEMBL6689692

C#CCN1CCN(CCCOc2ccc3cncnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
DRD3 P35462 3/20 0.45
EGFR P00533 1/20 0.45
HRH1 P35367 1/20 0.45
HTR6 P50406 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
DRD2 P14416 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR3A P46098 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
SCHEMBL28032867 0.86 HRH3 (0.62) HRH3DRD3EGFRHRH1
SCHEMBL7837580 0.86 HRH3 (0.53) HRH3EGFRTLR9TLR7
SCHEMBL5680969 0.84 HRH3 (0.55) HRH3TLR9TLR7
SCHEMBL30209183 0.82 HRH3 (0.49) HRH3DRD3EGFRHRH1
SCHEMBL30979868 0.82 HRH3 (0.54) HRH3EGFRHRH1
SCHEMBL3067381 0.82 HRH3 (0.54) HRH3EGFRHRH1
SCHEMBL5679317 0.82 HRH3 (0.45) HRH3DRD3EGFRHRH1HDAC1
SCHEMBL18128966 0.80 EGFR (0.54) HRH3DRD3EGFRSLC6A2SLC6A4
SCHEMBL6390332 0.78 MAOB (0.52) HRH3EGFRMAOB
SCHEMBL6386440 0.76 KDM4E (0.55) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed