SCHEMBL7966698

SCHEMBL7966698

CCC(C)(C)C(=O)C(=O)N1Cc2sccc2CC1C(=O)OCCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.67
MTOR P42345 1/20 0.67
FKBP4 Q02790 1/20 0.67
FKBP5 Q13451 1/20 0.67

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
SCHEMBL7976989 0.88 FKBP1A (0.71) FKBP1AMTORFKBP4FKBP5
SCHEMBL7976724 0.83 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL7246114 0.82 FKBP1A (0.90) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7187 0.81 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL4766380 0.81 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL7250973 0.80 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5
SCHEMBL7247651 0.80 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5
SCHEMBL5965941 0.80 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2191097 0.80 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7324245 0.80 FKBP1A (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323215-B1 TREAT AND PREVENT DISORDERS CHARACTERIZED BY NEURONAL DAMAGE SUCH AS PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, STROKE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, DIABETIC NEUROPATHY AND BELL'S PALSY. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US disclosed