SCHEMBL5884348

SCHEMBL5884348

CON=Cc1ccc(OCCCC2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GPR119 Q8TDV5 5/20 0.36
HRH3 Q9Y5N1 1/20 0.35
OGA O60502 1/20 0.34
LCAT P04180 3/20 0.34
CXCR3 P49682 1/20 0.34
AR P10275 2/20 0.33
AOC3 Q16853 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5884176 0.90 HRH3 (0.37) MAPTGPR119HRH3CXCR3
SCHEMBL5884473 0.89 FFAR1 (0.38) MAPTOGALCATCXCR3KCNH2
SCHEMBL5884356 0.88 HRH3 (0.38) MAPTGPR119HRH3L3MBTL1
SCHEMBL5884759 0.87 MEN1 (0.43) MAPTHRH3ARL3MBTL1
SCHEMBL5884360 0.86 MAPT (0.36) MAPTGPR119OGALCATCXCR3
SCHEMBL5884502 0.85 DRD2 (0.41) HRH3OGAARKCNH2L3MBTL1
SCHEMBL5884362 0.83 NR1I2 (0.38) MAPTGPR119L3MBTL1
SCHEMBL5884512 0.83 NPY1R (0.37) MAPTGPR119HRH3L3MBTL1
SCHEMBL5884443 0.82 MAP4K4 (0.36) MAPTCXCR3
SCHEMBL5884268 0.82 MEN1 (0.43) GPR119

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