SCHEMBL2298535

SCHEMBL2298535

CC(C)c1ccc(OC2C[N]C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NAAA Q02083 1/20 0.40
ACACB O00763 9/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDE9A O76083 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL13720815 0.82 ACACB (0.49) KMT2AMEN1NAAAACACBHTR2C
SCHEMBL20306371 0.78 ACACB (0.51) KMT2AMEN1ACACBNPSR1HRH3
SCHEMBL12160713 0.78 ACACB (0.51) KMT2AMEN1ACACBALDH1A1NPSR1
SCHEMBL3125920 0.78 ACHE (0.41) KMT2AMEN1NAAAALDH1A1
SCHEMBL2302743 0.78 SLC6A4 (0.52) KMT2AMEN1RAB9A
SCHEMBL2299147 0.78 CA1 (0.48) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL13439687 0.77 NPSR1 (0.51) KMT2AMEN1ACACBHPGDALDH1A1
SCHEMBL29152373 0.77 NPSR1 (0.51) KMT2AMEN1ACACBHPGDALDH1A1
SCHEMBL14312218 0.77 SLC6A4 (0.53) ACACBHTR2CHTR2B
SCHEMBL30212205 0.76 NAAA (0.42) KMT2AMEN1NAAAACACBHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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