SCHEMBL5884648

SCHEMBL5884648

CCCON=Cc1ccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.42
AXL P30530 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
BPTF Q12830 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
LTA4H P09960 1/20 0.37
PANK3 Q9H999 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL5885004 0.93 HTR4 (0.42) HTR4AXLMEN1KMT2AALDH1A1
SCHEMBL5884658 0.89 DRD2 (0.40) MEN1KMT2AL3MBTL1GAADRD2
SCHEMBL5884836 0.89 HTR4 (0.46) HTR4AXLMEN1KMT2AALDH1A1
SCHEMBL5884880 0.89 SMN1; SMN2 (0.42) HTR4AXLMEN1KMT2AALDH1A1
SCHEMBL5883893 0.87 AXL (0.41) HTR4AXLMEN1KMT2AALDH1A1
SCHEMBL5884130 0.85 KMT2A (0.39) MEN1KMT2AL3MBTL1GAABPTF
SCHEMBL5884127 0.82 KCNH2 (0.41) MEN1KMT2AL3MBTL1DRD2DRD1
SCHEMBL5884626 0.82 KMT2A (0.44) HTR4AXLMEN1KMT2AALDH1A1
SCHEMBL5884887 0.79 L3MBTL1 (0.41) MEN1KMT2AALDH1A1L3MBTL1DRD2
SCHEMBL5884269 0.79 DRD2 (0.40) MEN1KMT2AL3MBTL1DRD2DRD1

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed