SCHEMBL29636795

SCHEMBL29636795

CC(C)(C)OC(=O)NCCCNc1cc(-c2ccc(-n3cc4c(n3)CN(C(=O)OC(C)(C)C)C4)cc2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.41
PDE10A Q9Y233 1/20 0.41
ACP1 P24666 6/20 0.40
ACACA Q13085 3/20 0.40
SLC2A1 P11166 1/20 0.40
BRD4 O60885 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
SCHEMBL23015287 1.00 ACACB (0.41) ACACBPDE10AACP1ACACASLC2A1
SCHEMBL29636803 0.92 ACP1 (0.42) ACACBACP1ACACA
SCHEMBL29636838 0.82 SMYD3 (0.39) ACACBACACA
SCHEMBL23015253 0.82 SMYD3 (0.39) ACACBACACA
SCHEMBL26967672 0.77 SLC34A1 (0.41) SLC2A1BRD4
SCHEMBL29636780 0.76 ACP1 (0.58) ACP1
SCHEMBL23015387 0.76 ACP1 (0.58) ACP1
SCHEMBL23015131 0.73 SLC2A1 (0.51) PDE10AACP1SLC2A1
SCHEMBL29636834 0.73 SLC2A1 (0.51) PDE10AACP1SLC2A1
SCHEMBL26967676 0.73 BRD4 (0.41) BRD4

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed