SCHEMBL29629758

SCHEMBL29629758

Cc1ncsc1COc1ccc2oc(C)c(C(=O)NC3(CO)CC3)c2c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL24484858 1.00 GABRA1 (0.32) GABRA1LMNAHTT
SCHEMBL24484957 0.95 BTK (0.32) LMNA
SCHEMBL29630025 0.95 BTK (0.32) LMNA
SCHEMBL29629942 0.94
SCHEMBL24484862 0.94
SCHEMBL24485702 0.86 BTK (0.33) GABRA1LMNA
SCHEMBL29629890 0.86 BTK (0.33) GABRA1LMNA
SCHEMBL24485042 0.84 F11 (0.32) GABRA1LMNAHTT
SCHEMBL29629967 0.84 F11 (0.32) GABRA1LMNAHTT
SCHEMBL29630230 0.84 ANO1 (0.33) LMNAHTT

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 3 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
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed