SCHEMBL19444477

SCHEMBL19444477

CCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(CC)CC)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 7/20 0.73
▸ GMNN O75496 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70

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
SCHEMBL3033415 0.92 TSPO (0.85) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3033100 0.91 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217930 0.91 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3032179 0.91 TSPO (0.79) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3022293 0.87 TSPO (0.71) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13238059 0.84 TSPO (0.72) TSPO
Alpdem SCHEMBL1230701 0.82 TSPO (1.00) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL19444434 0.82 TSPO (0.72) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3038391 0.82 TSPO (0.64) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL22627545 0.81 TSPO (0.90) TSPOGMNNLMNAPOLBCYP3A4

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-2752415-B1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) 2017-10-11 — — EP disclosed
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