SCHEMBL24401986

SCHEMBL24401986

CCN1C[C@H](C)N(CCOC)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
GBA1 P04062 2/20 0.36
SLC29A1 Q99808 1/20 0.33
THRB P10828 3/20 0.31
THRA P10827 1/20 0.31
RGS4 P49798 1/20 0.30
RGS8 P57771 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
SCHEMBL22360801 0.85 SIGMAR1 (0.42) SIGMAR1GBA1SLC29A1
SCHEMBL11101427 0.79 MAPT (0.37) SIGMAR1
SCHEMBL12828282 0.78 SIGMAR1 (0.34) SIGMAR1
SCHEMBL22360703 0.77 SIGMAR1 (0.37) SIGMAR1GBA1SLC29A1
SCHEMBL1070687 0.76
SCHEMBL25908114 0.76
SCHEMBL29299988 0.76
SCHEMBL21218081 0.75 SIGMAR1 (0.34) SIGMAR1
SCHEMBL24402000 0.74 AGL (0.36) SIGMAR1GBA1
SCHEMBL24401976 0.73 MAP3K12 (0.36) GBA1

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
WO-2022090481-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 WO disclosed