SCHEMBL8220787

SCHEMBL8220787

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1c1nc(CCc2cccnc2)no1.COc1cc(C(=O)C(=O)N2CCC[C@H]2c2nc(CCc3cccnc3)no2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.54
FKBP4 Q02790 2/20 0.50
FKBP5 Q13451 2/20 0.50
ABCC1 P33527 1/20 0.50
MTOR P42345 1/20 0.48
HTT P42858 1/20 0.42

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
SCHEMBL8220783 1.00 FKBP1A (0.54) FKBP1AFKBP4FKBP5ABCC1MTOR
SCHEMBL7984949 0.93 FKBP1A (0.61) FKBP1AFKBP4FKBP5ABCC1HTT
SCHEMBL7995090 0.89 FKBP1A (0.57) FKBP1AFKBP4FKBP5MTOR
SCHEMBL7995095 0.89 FKBP1A (0.57) FKBP1AFKBP4FKBP5MTOR
SCHEMBL7984933 0.77 MAPT (0.46) FKBP1AFKBP4FKBP5MTOR
SCHEMBL5847498 0.74 FKBP1A (0.43) FKBP1AFKBP4FKBP5MTOR
SCHEMBL7469652 0.69 FKBP1A (0.67) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7463760 0.69 FKBP1A (0.62) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL30147174 0.67 TSHR (0.49) HTT
SCHEMBL16310240 0.67 FKBP1A (0.89) FKBP1AFKBP4FKBP5ABCC1

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
WO-2000046222-A1 HETEROAROMATIC COMPOUNDS WITH NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-10 WO claimed