SCHEMBL25796964

SCHEMBL25796964

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C1)[C@H](NC(=O)c1ccc(OC(F)F)cn1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.40
▸ HCRTR1 O43613 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ BACE1 P56817 3/20 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
SCHEMBL25813024 1.00 ATF4 (0.40) ATF4HCRTR1ALDH1A1HPGDTSHR
SCHEMBL25781454 0.94 ALDH1A1 (0.37) ATF4HCRTR1ALDH1A1GAATNKS
SCHEMBL19568855 0.88 ATF4 (0.43) ATF4HCRTR1ALDH1A1HPGDTSHR
SCHEMBL20992782 0.87 ATF4 (0.45) ATF4BACE1
SCHEMBL25812808 0.86 ALDH1A1 (0.46) ATF4ALDH1A1HPGDTSHRGAA
SCHEMBL19556230 0.85 ATF4 (0.50) ATF4BACE1
SCHEMBL25804759 0.83 RXFP1 (0.43) ATF4ALDH1A1GAA
SCHEMBL20992455 0.83 ATF4 (0.50) ATF4BACE1
SCHEMBL25813019 0.81 ATF4 (0.45) ATF4BACE1
SCHEMBL19568400 0.80 SSTR3 (0.44) ATF4ALDH1A1HPGDTSHRGAA

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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