SCHEMBL6570571

SCHEMBL6570571

CCCOC(=S)[C@@H]1C(c2cccc(F)c2)CCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
FKBP1A P62942 17/20 0.39
MTOR P42345 1/20 0.36
FKBP4 Q02790 1/20 0.36
FKBP5 Q13451 1/20 0.36

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
SCHEMBL6049183 0.95 RIPK1 (0.44) RIPK1FKBP1AMTORFKBP4FKBP5
SCHEMBL7429151 0.79 FKBP1A (0.47) FKBP1AMTORFKBP4FKBP5
SCHEMBL7771830 0.77 FKBP1A (0.49) FKBP1AMTORFKBP4FKBP5
SCHEMBL6570600 0.75 FKBP1A (0.47) FKBP1AMTORFKBP4FKBP5
SCHEMBL5275386 0.71 FKBP1A (0.41) RIPK1FKBP1AFKBP4FKBP5
SCHEMBL4677127 0.71 FKBP1A (0.66) FKBP1AMTORFKBP4FKBP5
SCHEMBL17881960 0.69 RIPK1 (0.71) RIPK1
SCHEMBL7433188 0.69 FKBP1A (0.59) FKBP1AMTORFKBP4FKBP5
SCHEMBL7422008 0.68 FKBP1A (0.61) FKBP1AMTORFKBP4FKBP5
SCHEMBL15185124 0.67 RIPK1 (0.49) RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1233945-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2002-08-28 EP disclosed
WO-2001038304-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 2001-05-31 WO disclosed