SCHEMBL7995095

SCHEMBL7995095

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1c1nc(CCc2cccnc2)no1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.57
MTOR P42345 1/20 0.57
FKBP4 Q02790 1/20 0.57
FKBP5 Q13451 1/20 0.57

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
SCHEMBL7995090 1.00 FKBP1A (0.57) FKBP1AMTORFKBP4FKBP5
SCHEMBL8220787 0.89 FKBP1A (0.54) FKBP1AMTORFKBP4FKBP5
SCHEMBL8220783 0.89 FKBP1A (0.54) FKBP1AMTORFKBP4FKBP5
SCHEMBL7984933 0.85 MAPT (0.46) FKBP1AMTORFKBP4FKBP5
SCHEMBL5847498 0.83 FKBP1A (0.43) FKBP1AMTORFKBP4FKBP5
SCHEMBL7984949 0.79 FKBP1A (0.61) FKBP1AFKBP4FKBP5
SCHEMBL5845846 0.76 FKBP1A (0.46) FKBP1A
SCHEMBL30147174 0.74 TSHR (0.49)
SCHEMBL6100156 0.74 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5
SCHEMBL4679872 0.74 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5

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 3 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
WO-2000046222-A1 HETEROAROMATIC COMPOUNDS WITH NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-10 WO disclosed