SCHEMBL8425944

SCHEMBL8425944

O=[N+]([O-])c1ccc2c(c1)CC[C@H](CCC(F)(F)F)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.38
FFAR4 Q5NUL3 4/20 0.38
ADRA2A P08913 3/20 0.38
FFAR1 O14842 3/20 0.38
GRIN2B Q13224 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8424903 1.00 PNMT (0.38) PNMTFFAR4ADRA2AFFAR1GRIN2B
SCHEMBL8424902 1.00 PNMT (0.38) PNMTFFAR4ADRA2AFFAR1GRIN2B
SCHEMBL8426665 0.84 PNMT (0.41) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL7390944 0.81 GRIN2B (0.41) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL10508397 0.81 PNMT (0.48) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL16650443 0.81 PNMT (0.46) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL8428904 0.81 GRIN2B (0.38) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL8425949 0.80 PNMT (0.36) PNMTFFAR4ADRA2AFFAR1GRIN2B
SCHEMBL8429563 0.78 FFAR4 (0.39) FFAR4FFAR1
SCHEMBL8425111 0.78 FFAR4 (0.39) FFAR4FFAR1

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-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed