SCHEMBL6779125

SCHEMBL6779125

COc1cc(CCCN2C[C@H]3CC[C@@H](C2=O)N3C(=O)C(F)(F)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.44
FKBP5 Q13451 2/20 0.43
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 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
SCHEMBL6774588 0.94 FKBP5 (0.47) FKBP1AFKBP5KMT2AMEN1HTT
SCHEMBL6776757 0.93 FKBP1A (0.47) FKBP1AFKBP5KMT2A
SCHEMBL6783532 0.92 FKBP5 (0.47) FKBP1AFKBP5KMT2AMEN1HTT
SCHEMBL6779072 0.89 FKBP5 (0.54) FKBP1AFKBP5SMN1; SMN2KMT2AHTT
SCHEMBL6781032 0.85 FKBP1A (0.47) FKBP1AFKBP5LMNASMN1; SMN2KMT2A
SCHEMBL6785090 0.81 FKBP1A (0.50) FKBP1AFKBP5KMT2AMEN1HTT
SCHEMBL6776495 0.79 FKBP5 (0.51) FKBP1AFKBP5KMT2AMEN1HTT
SCHEMBL6784892 0.79 FKBP1A (0.48) FKBP1AFKBP5
SCHEMBL6785000 0.77 FKBP1A (0.45) FKBP1AFKBP5LMNAKMT2AMEN1
SCHEMBL6780481 0.76 FKBP5 (0.55) FKBP1AFKBP5KMT2AMEN1

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
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