SCHEMBL19568400

SCHEMBL19568400

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C1)[C@@H](NC(=O)c1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 2/20 0.44
▸ ATF4 P18848 9/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL19569374 0.84 ATF4 (0.50) ATF4
SCHEMBL25812808 0.83 ALDH1A1 (0.46) ATF4ALDH1A1HPGDTSHRGAA
SCHEMBL25804759 0.82 RXFP1 (0.43) ATF4ALDH1A1GAAMEN1KMT2A
SCHEMBL19556113 0.82 ATF4 (0.57) ATF4MRGPRX4ALDH1A1ADAMTS5GAA
SCHEMBL25812962 0.81 ATF4 (0.43) ATF4ALDH1A1HPGDTSHRGAA
SCHEMBL20992251 0.81 ATF4 (0.49) ATF4TSHRGAA
SCHEMBL20992524 0.81 ATF4 (0.51) SSTR3ATF4MEN1KMT2A
SCHEMBL20992410 0.80 ATF4 (0.50) ATF4
SCHEMBL19568855 0.80 ATF4 (0.43) ATF4ALDH1A1HPGDTSHRMEN1
SCHEMBL19568607 0.80 ATF4 (0.50) ATF4

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-2017193063-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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