SCHEMBL6780481

SCHEMBL6780481

CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)N(CCCc1cc(OC)c(OC)c(OC)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 2/20 0.55
FKBP1A P62942 15/20 0.51
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6785090 0.95 FKBP1A (0.50) FKBP5FKBP1AMEN1KMT2A
SCHEMBL6776495 0.86 FKBP5 (0.51) FKBP5FKBP1AMEN1KMT2A
SCHEMBL15553893 0.79 FKBP5 (0.73) FKBP5FKBP1A
SCHEMBL6779072 0.77 FKBP5 (0.54) FKBP5FKBP1AKMT2A
SCHEMBL6778877 0.76 FKBP5 (0.51) FKBP5KMT2A
SCHEMBL6779125 0.76 FKBP1A (0.44) FKBP5FKBP1AMEN1KMT2A
SCHEMBL15436148 0.75 FKBP5 (0.69) FKBP5FKBP1A
SCHEMBL6778408 0.74 FKBP5 (0.50) FKBP5KMT2A
SCHEMBL15450999 0.73 FKBP5 (0.71) FKBP5FKBP1A
SCHEMBL15551538 0.72 FKBP5 (0.73) FKBP5FKBP1A

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-6818643-B1 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-16 US disclosed
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed