SCHEMBL21540176

SCHEMBL21540176

COc1cc(C(C(=O)N2CCCCC2C=O)C2CCCCC2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 9/20 0.67
FKBP1A P62942 10/20 0.60
FKBP1B P68106 2/20 0.50
FKBP4 Q02790 2/20 0.46
TMEM97 Q5BJF2 2/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FKBP2 P26885 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL17884418 0.85 FKBP5 (0.52) FKBP5FKBP1AL3MBTL1
SCHEMBL18107946 0.85 FKBP5 (0.67) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL18107947 0.85 FKBP5 (0.67) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL19946482 0.83 FKBP5 (0.65) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16585988 0.83 FKBP5 (0.74) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL18122820 0.83 FKBP5 (0.74) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16585986 0.83 FKBP5 (0.74) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL18107924 0.83 FKBP5 (0.62) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16586180 0.82 FKBP5 (0.76) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL21518629 0.82 FKBP5 (0.76) FKBP5FKBP1AFKBP1BFKBP4TMEM97

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-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed