SCHEMBL21390176

SCHEMBL21390176

O=C(COC1CCC1)NC12CC(C1)C(NC(=O)c1ccc3cc(Cl)ccc3n1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.46
▸ SCN9A Q15858 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ HTR7 P34969 1/20 0.36

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
SCHEMBL21390247 0.85 ATF4 (0.59) ATF4
SCHEMBL23332818 0.74 ATF4 (0.42) ATF4SCN9AHTR7
SCHEMBL25963726 0.74 ATF4 (0.42) ATF4SCN9AHTR7
SCHEMBL21390203 0.73 ATF4 (0.49) ATF4SCN9AF10
SCHEMBL25963238 0.72 ATF4 (0.53) ATF4SCN9A
SCHEMBL21390249 0.72 ATF4 (0.63) ATF4
SCHEMBL23294739 0.72 ATF4 (0.63) ATF4
SCHEMBL21390210 0.69 ATF4 (0.45) ATF4SCN9A
SCHEMBL28896405 0.69 CNR1 (0.60) ATF4SCN9AHTR7
SCHEMBL23333309 0.69 SCN9A (0.33) ATF4SCN9A

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
WO-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 — — WO disclosed
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