SCHEMBL7984949

SCHEMBL7984949

COc1cc(C(=O)C(=O)N2CCC[C@H]2c2nc(CCc3cccnc3)no2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.61
ABCC1 P33527 1/20 0.56
FKBP4 Q02790 1/20 0.56
FKBP5 Q13451 1/20 0.56
HTT P42858 1/20 0.47
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41

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
SCHEMBL8220787 0.93 FKBP1A (0.54) FKBP1AABCC1FKBP4FKBP5HTT
SCHEMBL8220783 0.93 FKBP1A (0.54) FKBP1AABCC1FKBP4FKBP5HTT
SCHEMBL7984933 0.79 MAPT (0.46) FKBP1AFKBP4FKBP5HCRTR2
SCHEMBL7995095 0.79 FKBP1A (0.57) FKBP1AFKBP4FKBP5
SCHEMBL7995090 0.79 FKBP1A (0.57) FKBP1AFKBP4FKBP5
SCHEMBL7469652 0.75 FKBP1A (0.67) FKBP1AABCC1FKBP4FKBP5
SCHEMBL7463760 0.74 FKBP1A (0.62) FKBP1AABCC1FKBP4FKBP5
SCHEMBL16310240 0.72 FKBP1A (0.89) FKBP1AABCC1FKBP4FKBP5
SCHEMBL7251704 0.72 FKBP1A (0.90) FKBP1AABCC1FKBP4FKBP5
Biricodar SCHEMBL154547 0.72 FKBP1A (1.00) FKBP1AABCC1FKBP4FKBP5

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-6284779-B1 NERVOUS SYSTEM DISORDERS SCHERING AKTIIENGESELLSCHAFT (DE) 2001-09-04 US claimed
US-6284779-B1 NERVOUS SYSTEM DISORDERS SCHERING AKTIIENGESELLSCHAFT (DE) 2001-09-04 US disclosed