SCHEMBL9567048

SCHEMBL9567048

C[C@H](c1ccccc1)N(CC1[C@@H](F)[C@H]1c1ccc(Br)c(Br)c1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.32
NR1I2 O75469 1/20 0.32
SLC6A4 P31645 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
OPRM1 P35372 1/20 0.30
MTOR P42345 1/20 0.30
FAAH O00519 1/20 0.30
PABPC1 P11940 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2479871 0.65 ALOX5 (0.50) TRPM8ALOX5POLBOPRM1MTOR
SCHEMBL15633008 0.64 ALOX5 (0.49) TRPM8ALOX5POLBMTOR
SCHEMBL15632903 0.64 ALOX5 (0.49) TRPM8ALOX5POLBMTOR
SCHEMBL15655256 0.64 ALOX5 (0.49) TRPM8ALOX5POLBMTOR
SCHEMBL15632902 0.64 ALOX5 (0.49) TRPM8ALOX5POLBMTOR
SCHEMBL15655258 0.64 ALOX5 (0.49) TRPM8ALOX5POLBMTOR
SCHEMBL20538932 0.63 ALOX5 (0.40) TRPM8ALOX5L3MBTL1
SCHEMBL18740261 0.63 ALOX5 (0.40) TRPM8ALOX5L3MBTL1
SCHEMBL28032109 0.63 ALOX5 (0.47) TRPM8ALOX5OPRM1MTORL3MBTL1
SCHEMBL20741030 0.62 SLC6A3 (0.44) TRPM8ALOX5MTOR

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
EP-0549418-A2 Unsaturated amides with pesticidal activity ROUSSEL UCLAF (FR) 1993-06-30 EP disclosed