SCHEMBL19444512

SCHEMBL19444512

CN(C)C(=O)Cc1c(-c2ccc(OCCCF)cc2)nc2c(Cl)cc(Cl)cn12

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 6/20 0.73
▸ GMNN O75496 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL3032179 0.91 TSPO (0.79) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217937 0.89 TSPO (0.67) TSPO
SCHEMBL3021820 0.89 TSPO (0.67) TSPO
SCHEMBL3033100 0.86 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217930 0.86 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL13217941 0.85 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3036683 0.85 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL14302334 0.82 TSPO (0.66) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3022501 0.81 TSPO (0.60) TSPOLMNACYP3A4
SCHEMBL13217931 0.81 TSPO (0.60) TSPOLMNACYP3A4

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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