SCHEMBL29863760

SCHEMBL29863760

CC(C)CC(C(=O)O)n1cc(CN(C)C)c(C(F)(F)F)cc1=O.CCOC(=O)C(CC(C)C)n1cc(CN(C)C)c(C(F)(F)F)cc1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.32
RET P07949 2/20 0.31
KDR P35968 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
MAPT P10636 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
SCHEMBL23249152 0.97 RET (0.32) RETKDRSLC5A1SLC5A2SLC6A2
SCHEMBL23249219 0.92 POLQ (0.34) POLQSLC6A2SLC6A4
SCHEMBL29863674 0.90 POLQ (0.31) POLQ
SCHEMBL31629452 0.87 F11 (0.33) RETKDR
SCHEMBL21459374 0.87 HTR6 (0.32) SLC5A1SLC5A2MAPT
SCHEMBL23250487 0.85 THRA (0.31) MAPT
SCHEMBL23256558 0.82 PSEN1 (0.35)
SCHEMBL23249019 0.82 SLC5A1 (0.32) SLC5A1SLC5A2MAPT
SCHEMBL29863481 0.82 OPRK1 (0.32)
SCHEMBL29863454 0.81 PTGS2 (0.37) MAPT

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-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed