SCHEMBL6876590

SCHEMBL6876590

N#CCN1CCC(CCC2CCCN(CC#N)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.40
MAOA P21397 4/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CHRM5 P08912 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD2 P14416 1/20 0.31
ADRA2C P18825 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL663698 0.83 MAOB (0.40) MAOBCTSSCTSKKDM2BCHRM5
SCHEMBL4374422 0.83 MAOB (0.40) MAOBCTSSCTSKKDM2BCHRM5
SCHEMBL4374426 0.83 MAOB (0.40) MAOBCTSSCTSKKDM2BCHRM5
SCHEMBL9824792 0.81 MAOB (0.39) MAOBCTSSCTSKKDM2BCHRM5
SCHEMBL4374295 0.80 MAOB (0.38) MAOBCTSSCTSKKDM2BMAPT
SCHEMBL4374291 0.80 MAOB (0.38) MAOBCTSSCTSKKDM2BCHRM5
SCHEMBL9824677 0.79 MAPT (0.43) MAOBCTSKCHRM5ADRA2CMAPT
SCHEMBL9825161 0.79 MAPT (0.47) MAOBCTSKMAPT
SCHEMBL13036986 0.79 KDM2B (0.38) MAOBKDM2BCHRM5CHRM2CHRM4
SCHEMBL3897140 0.79 CYP2D6 (0.44) MAOBKDM2BCHRM5DRD2ADRA2C

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-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO disclosed