SCHEMBL5884443

SCHEMBL5884443

CON=Cc1ccc(OCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
DRD4 P21917 10/20 0.35
DRD2 P14416 9/20 0.35
NR1I2 O75469 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
CXCR3 P49682 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL5884636 0.92 DRD4 (0.34) MAP4K4DRD4DRD2NR1I2KMT2A
SCHEMBL5884176 0.91 HRH3 (0.37) MAP4K4KMT2APTGS1PTGS2CXCR3
SCHEMBL5884768 0.89 FFAR1 (0.39) MAP4K4DRD4DRD2PTGS1PTGS2
SCHEMBL5884929 0.89 DRD4 (0.33) MAP4K4DRD4DRD2NR1I2PTGS1
SCHEMBL5884096 0.86 CYP1A2 (0.39) MAP4K4DRD4DRD2NR1I2MEN1
SCHEMBL5884590 0.83 KCNH2 (0.35) MAP4K4KMT2ACXCR3MAPTSLC6A9
SCHEMBL5884348 0.82 MAPT (0.37) CXCR3MAPT
SCHEMBL5884232 0.82 FFAR1 (0.38) MAP4K4DRD4DRD2PTGS1PTGS2
SCHEMBL5884436 0.81 FFAR1 (0.33) MAP4K4DRD2MEN1KMT2AFFAR1
SCHEMBL5884551 0.80 HRH3 (0.33)

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