SCHEMBL7976649

SCHEMBL7976649

O=C(C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCCCc1cccnc1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.53
MTOR P42345 1/20 0.46
FKBP4 Q02790 1/20 0.46
FKBP5 Q13451 1/20 0.46

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
SCHEMBL7976654 1.00 FKBP1A (0.53) FKBP1AMTORFKBP4FKBP5
SCHEMBL7251418 0.85 FKBP1A (0.65) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980034 0.81 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980032 0.81 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980405 0.80 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980403 0.80 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7976989 0.80 FKBP1A (0.71) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980598 0.78 FKBP1A (0.61) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980600 0.78 FKBP1A (0.61) FKBP1AMTORFKBP4FKBP5
SCHEMBL7978561 0.75 MMP9 (0.43)

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