SCHEMBL7990863

SCHEMBL7990863

CCC(OCCCc1c[nH]cn1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
FAAH O00519 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35
MC4R P32245 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SUCNR1 Q9BXA5 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
SCHEMBL4385045 0.79 L3MBTL1 (0.47) L3MBTL1
SCHEMBL4378576 0.78 PNMT (0.37) PNMTFAAHCTSSCTSKMC4R
SCHEMBL7974390 0.76 TAAR1 (0.43) IDO1
SCHEMBL4385050 0.76 LMNA (0.48) L3MBTL1
Oxalic Acid SCHEMBL7990786 0.73 KDM4E (0.52) FAAHL3MBTL1
SCHEMBL4386660 0.72 PNMT (0.43) PNMTMC4RIDO1TDO2
SCHEMBL2105356 0.72 PNMT (0.43) PNMTMC4RIDO1TDO2
SCHEMBL7971497 0.71 MAPT (0.46)
SCHEMBL4380977 0.71 CTSC (0.43) CTSLCTSBCTSSCTSKKCNH2
SCHEMBL223971 0.71 TAAR1 (0.51) IDO1

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed