SCHEMBL2302199

SCHEMBL2302199

Fc1ccc(OC2C[N]C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.41
ADRB2 P07550 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
NAAA Q02083 1/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL30045 0.79 EPHX2 (0.57) EPHX2ADRB2FAAH
SCHEMBL9572112 0.79 EPHX2 (0.57) EPHX2ADRB2FAAH
SCHEMBL9572108 0.79 EPHX2 (0.57) EPHX2ADRB2FAAH
SCHEMBL3126722 0.79 EPHX2 (0.46) EPHX2ADRB2FPR2PROKR1NAAA
SCHEMBL2299581 0.78 SLC6A2 (0.37) EPHX2GRIN1GRIN2B
SCHEMBL2302743 0.78 SLC6A4 (0.52) EPHX2FPR2PROKR1MEN1KMT2A
SCHEMBL2299147 0.78 CA1 (0.48) KDM4EMEN1KMT2A
SCHEMBL3125920 0.78 ACHE (0.41) EPHX2FPR2PROKR1NAAAMEN1
SCHEMBL2301630 0.78 TEAD1 (0.44) EPHX2ADRB2FPR2PROKR1NAAA
SCHEMBL2296925 0.78 GRIN1 (0.39) TRPA1GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed