SCHEMBL29630117

SCHEMBL29630117

CNC(=O)C1(NC(=O)c2c(C)oc3ccc(OCc4ccccn4)cc23)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ SLC26A4 O43511 6/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ BLM P54132 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL24484872 1.00 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485157 0.91 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629889 0.91 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485165 0.87 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485686 0.86 CASP3 (0.47) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629923 0.86 CASP3 (0.47) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24485717 0.84 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29630183 0.84 CASP3 (0.48) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL29629998 0.84 CASP3 (0.46) CASP3SENP8SENP7SENP6SLC26A4
SCHEMBL24484865 0.83 KMT2A (0.42) CASP3SENP8SENP7SENP6SLC26A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251616-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven (BE) 2023-10-04 — — EP claimed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 — — WO claimed
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