SCHEMBL8935376

SCHEMBL8935376

CN(Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C(=O)C(N)CO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
NR4A2 P43354 2/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDGFRA P16234 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
SLC1A5 Q15758 1/20 0.48
POLB P06746 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47

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
SCHEMBL8935251 0.86 MAOB (0.58) MAOBNR4A2
SCHEMBL8935296 0.84 ALOX5 (0.60) MAOBFFAR1S1PR1S1PR5
SCHEMBL8935348 0.80 MAOB (0.58) MAOBFFAR1FFAR4ADAMTS4MMP13
SCHEMBL8935310 0.76 MAOB (0.55) MAOBSLC1A5
SCHEMBL11214112 0.76 MAOB (0.71) MAOBNR4A2FFAR1FFAR4MAPT
SCHEMBL11214114 0.76 MAOB (0.71) MAOBNR4A2FFAR1FFAR4MAPT
SCHEMBL8935232 0.76 FFAR1 (0.51) FFAR1
SCHEMBL6839182 0.75 MAOB (0.74) MAOBNR4A2FFAR1FFAR4MAPT
Hydrochloric Acid SCHEMBL30001570 0.74 MAOB (0.58) MAOBNR4A2FFAR1FFAR4MAPT
SCHEMBL8935286 0.74 MAOB (0.54) MAOBNR4A2MAPTHTTSLC1A5

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed