SCHEMBL5884176

SCHEMBL5884176

CON=Cc1ccc(OCCCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 2/20 0.34
MAP4K4 O95819 1/20 0.34
MAPT P10636 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
IDH1 O75874 1/20 0.32
CXCR3 P49682 1/20 0.32
PTGES O14684 1/20 0.32
CTSS P25774 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A9 P48067 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5884590 0.92 KCNH2 (0.35) HRH3HPGDMAP4K4MAPTGPR119
SCHEMBL5884443 0.91 MAP4K4 (0.36) MAP4K4MAPTCXCR3ALDH1A1LMNA
SCHEMBL5884348 0.90 MAPT (0.37) HRH3MAPTGPR119CXCR3
SCHEMBL5884436 0.90 FFAR1 (0.33) HRH3MAP4K4MAPTIDH1CTSS
SCHEMBL5884551 0.88 HRH3 (0.33) HRH3HPGDIDH1PTGES
SCHEMBL5884636 0.83 DRD4 (0.34) MAP4K4CXCR3SLC6A9KMT2APTGS1
SCHEMBL5883978 0.82 KMT2A (0.39) HRH3MAP4K4KMT2APTGS1PTGS2
SCHEMBL5884946 0.82 MEN1 (0.33) IDH1SLC6A9KMT2APTGS1PTGS2
SCHEMBL5884768 0.81 FFAR1 (0.39) MAP4K4MAPTALDH1A1LMNAPTGS1
SCHEMBL5884929 0.80 DRD4 (0.33) MAP4K4PTGS1PTGS2

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