SCHEMBL30693149

SCHEMBL30693149

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCCl)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.42
STS P08842 1/20 0.40
TACR3 P29371 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPK8 P45983 1/20 0.39
TACR1 P25103 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
USP30 Q70CQ3 4/20 0.37

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
SCHEMBL1972615 1.00 PDE4B (0.42) PDE4BSTSTACR3SLC6A2SLC6A4
SCHEMBL15397556 0.86 SLC6A2 (0.40) TACR3SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL1970998 0.83 PDE4B (0.44) PDE4BSTSTACR3SLC6A2SLC6A4
SCHEMBL30693130 0.83 PDE4B (0.44) PDE4BSTSTACR3SLC6A2SLC6A4
SCHEMBL13814586 0.81 TACR2 (0.45) PDE4BSTSTACR1USP30
SCHEMBL13801636 0.81 TACR2 (0.45) PDE4BSTSTACR1USP30
SCHEMBL13801243 0.81 USP30 (0.50) PDE4BSTSUSP30
SCHEMBL13801614 0.81 TACR2 (0.45) PDE4BSTSTACR1USP30
SCHEMBL13814633 0.81 USP30 (0.50) PDE4BSTSUSP30
SCHEMBL13801256 0.81 TACR2 (0.45) PDE4BSTSTACR1USP30

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
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed