SCHEMBL3148722

SCHEMBL3148722

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccncc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 0.82
MTOR P42345 1/20 0.80
FKBP4 Q02790 1/20 0.80
FKBP5 Q13451 1/20 0.80

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
SCHEMBL3426604 0.90 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7187 0.89 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL4766380 0.89 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2191097 0.88 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7324245 0.88 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2542494 0.87 FKBP1A (0.96) FKBP1AMTORFKBP4FKBP5
SCHEMBL5834555 0.87 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL7396367 0.87 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL182073 0.86 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL5965941 0.86 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
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 EP disclosed