SCHEMBL3354485

SCHEMBL3354485

Cn1cc(C2=CCN(C3CC3)CC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.47
▸ HTR6 P50406 2/20 0.40
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL3358317 0.85 SLC6A4 (0.64) SLC6A4HTR6MAPT
SCHEMBL17495520 0.83 SLC6A4 (0.49) SLC6A4HTR6MAPTMEN1KMT2A
SCHEMBL3387401 0.83 SLC6A4 (0.49) SLC6A4HTR6MAPTMEN1KMT2A
SCHEMBL3354832 0.82 SLC6A4 (0.48) SLC6A4HTR6MAPTMEN1KMT2A
SCHEMBL3353186 0.81 SLC6A4 (0.47) SLC6A4HTR6MAPTKMT2AALDH1A1
SCHEMBL17495514 0.81 SLC6A4 (0.47) SLC6A4HTR6MAPTSCN9A
SCHEMBL17495516 0.81 SLC6A4 (0.47) SLC6A4HTR6MAPTSCN9A
SCHEMBL3352090 0.79 SLC6A4 (0.46) SLC6A4HTR6MAPTMEN1KMT2A
SCHEMBL26630395 0.78 HTR6 (0.46) SLC6A4HTR6MAPTMEN1KMT2A
SCHEMBL3358160 0.77 SLC6A4 (0.60) SLC6A4HTR6

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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