SCHEMBL29759262

SCHEMBL29759262

COC(=O)c1cc(F)cc(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.50
USP30 Q70CQ3 1/20 0.50
RIPK1 Q13546 3/20 0.49
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL24526689 1.00 UCHL1 (0.50) UCHL1USP30RIPK1NPC1LMNA
SCHEMBL933084 0.83 RIPK1 (0.50) RIPK1NPC1LMNANPSR1ALDH1A1
SCHEMBL2695225 0.83 RIPK1 (0.50) RIPK1NPC1LMNANPSR1ALDH1A1
SCHEMBL8214939 0.83 ROCK2 (0.53) UCHL1USP30RIPK1NPC1LMNA
SCHEMBL321027 0.83 ROCK2 (0.53) UCHL1USP30RIPK1NPC1LMNA
SCHEMBL1653727 0.82 NPC1 (0.52) UCHL1USP30RIPK1NPC1LMNA
SCHEMBL24527025 0.81 UCHL1 (0.38) UCHL1USP30RIPK1NR1H2NR1H3
SCHEMBL24527024 0.81 CHRNB2 (0.41) RIPK1
SCHEMBL21637242 0.81 RIPK1 (0.47) RIPK1NPC1LMNANPSR1ALDH1A1
SCHEMBL17067861 0.80 RIPK1 (0.46) RIPK1NPC1LMNANPSR1ALDH1A1

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-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed