SCHEMBL2299776

SCHEMBL2299776

Cc1sc(C2CC[N]CC2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
MAOA P21397 11/20 0.44
MAOB P27338 11/20 0.44
AR P10275 1/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRK1 P41145 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
HTR7 P34969 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL19399117 0.92 CHRNA7 (0.50) CHRNA7MAOAMAOBARSCN9A
SCHEMBL2299320 0.85 MEN1 (0.52) CHRNA7MAOAMAOBARMEN1
Bromide SCHEMBL2980010 0.84 MEN1 (0.51) CHRNA7MAOAMAOBARMEN1
SCHEMBL17766776 0.80 SCN9A (0.50) CHRNA7ARSCN9AALDH1A1MEN1
SCHEMBL2981969 0.79 SLC18A3 (0.48) CHRNA7MAOAMAOBARSCN9A
Trifluoroacetic Acid SCHEMBL17766749 0.76 PLAT (0.44) CHRNA7SCN9AALDH1A1MEN1KMT2A
SCHEMBL16392304 0.73 CKS1B (0.51) SCN9AMEN1KMT2A
SCHEMBL1364183 0.72 NOS1 (0.37) ALDH1A1
SCHEMBL4261351 0.71 MEN1 (0.43) MEN1MAPTKMT2A
SCHEMBL12618487 0.70 RARA (0.65) MAOAMAOBARALDH1A1MEN1

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