SCHEMBL5884836

SCHEMBL5884836

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.46
AXL P30530 1/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 4/20 0.40
BPTF Q12830 1/20 0.40
PTGS2 P35354 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.39
PANK3 Q9H999 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.38

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 0.90 HTR4 (0.42) HTR4AXLALDH1A1LMNALTA4H
SCHEMBL5884648 0.89 HTR4 (0.42) HTR4AXLALDH1A1LMNALTA4H
SCHEMBL5883875 0.88 DRD3 (0.42) LMNALTA4HDRD2DRD1DRD5
SCHEMBL5883939 0.88 SMN1; SMN2 (0.45) HTR4AXLALDH1A1LMNALTA4H
SCHEMBL5883893 0.86 AXL (0.41) HTR4AXLALDH1A1LMNALTA4H
SCHEMBL5884502 0.85 DRD2 (0.41) LTA4HPTGS2DRD2DRD1DRD5
SCHEMBL5884268 0.84 MEN1 (0.43) AXLALDH1A1LMNABPTFPTGS2
SCHEMBL5884759 0.83 MEN1 (0.43) ALDH1A1LMNABPTFPTGS2CYP1A2
SCHEMBL9212665 0.79 DRD2 (0.52) HTR4ALDH1A1LMNADRD2DRD1
SCHEMBL5883978 0.79 KMT2A (0.39) AXLBPTFPTGS2CYP1A2PANK3

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