SCHEMBL997425

SCHEMBL997425

CC1(c2ccc3c(c2)OCO3)NC(=O)N(CCCCCOc2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.60
NR1H3 Q13133 9/20 0.54
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL995440 1.00 NR1H2 (0.60) NR1H2NR1H3L3MBTL1MAPTHTT
SCHEMBL995268 0.99 NR1H2 (0.60) NR1H2NR1H3L3MBTL1MAPTHTT
SCHEMBL994870 0.96 NR1H2 (0.55) NR1H2NR1H3L3MBTL1HTT
SCHEMBL993843 0.96 NR1H2 (0.55) NR1H2NR1H3L3MBTL1HTT
SCHEMBL997060 0.96 NR1H2 (0.55) NR1H2NR1H3L3MBTL1HTT
SCHEMBL994604 0.92 NR1H2 (0.56) NR1H2NR1H3L3MBTL1MAPT
SCHEMBL994742 0.92 NR1H2 (0.56) NR1H2NR1H3L3MBTL1MAPT
SCHEMBL12392141 0.91 NR1H2 (0.52) NR1H2NR1H3L3MBTL1MAPTHTT
SCHEMBL12392087 0.91 NR1H2 (0.52) NR1H2NR1H3L3MBTL1MAPTHTT
SCHEMBL994412 0.91 NR1H2 (0.56) NR1H2NR1H3L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed