SCHEMBL8034780

SCHEMBL8034780

CCC(C)(C)C(=O)C(=O)N1C2CCC(C2)C1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.62
MTOR P42345 1/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40

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
SCHEMBL8048754 1.00 FKBP1A (0.62) FKBP1AMTORFKBP4FKBP5
SCHEMBL8034776 1.00 FKBP1A (0.62) FKBP1AMTORFKBP4FKBP5
SCHEMBL8045511 0.92 FKBP1A (0.51) FKBP1A
SCHEMBL8045509 0.92 FKBP1A (0.51) FKBP1A
SCHEMBL8046179 0.82 FKBP1A (0.57) FKBP1AMTORFKBP4FKBP5
SCHEMBL8046183 0.82 FKBP1A (0.57) FKBP1AMTORFKBP4FKBP5
SCHEMBL12311521 0.78 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL5833651 0.77 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL8051856 0.76 FKBP1A (0.49) FKBP1A
SCHEMBL8043720 0.76 FKBP1A (0.49) FKBP1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121280-A Azabicyclic rotomase inhibitors PFIZER INC. (US) 2000-09-19 US disclosed
EP-0947506-A1 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors Pfizer Products Inc. (US) 1999-10-06 EP disclosed