SCHEMBL8204783

SCHEMBL8204783

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1COCCCc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.73
MTOR P42345 1/20 0.73
FKBP4 Q02790 1/20 0.73
FKBP5 Q13451 1/20 0.73

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
SCHEMBL8211896 0.85 FKBP1A (0.55) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7187 0.84 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL4766380 0.84 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL7468444 0.84 FKBP1A (0.63) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7324245 0.84 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
SCHEMBL7460552 0.84 FKBP1A (0.63) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2191097 0.84 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2542494 0.83 FKBP1A (0.96) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL182073 0.82 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL5965941 0.82 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5

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-2000046193-A2 ETHER DERIVATIVES HAVING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-10 WO claimed