SCHEMBL6473186

SCHEMBL6473186

CN(C(=O)N1CCCC[C@H]1C(=O)OCCCCCCC(c1cccnc1)c1cccnc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.48
MTOR P42345 1/20 0.45
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45

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
SCHEMBL27472326 0.94 FKBP1A (0.51) FKBP1AMTORFKBP4FKBP5
SCHEMBL8464222 0.91 FKBP1A (0.48) FKBP1AMTORFKBP4FKBP5
SCHEMBL6476189 0.87 FKBP1A (0.44) FKBP1AMTORFKBP4FKBP5
SCHEMBL6471963 0.85 FKBP1A (0.53) FKBP1AFKBP4FKBP5
SCHEMBL27486132 0.85 FKBP1A (0.49) FKBP1AMTORFKBP4FKBP5
SCHEMBL8465804 0.79 FKBP1A (0.53) FKBP1AMTORFKBP4FKBP5
SCHEMBL3675085 0.79 FKBP1A (0.58) FKBP1AMTORFKBP4FKBP5
SCHEMBL3675084 0.79 FKBP1A (0.58) FKBP1AMTORFKBP4FKBP5
SCHEMBL7876350 0.73 RAB9A (0.41)
SCHEMBL7876351 0.73 RAB9A (0.41)

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
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP claimed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO claimed
WO-2005007162-A1 COMPOUNDS AUGMENTING THE ACTIVITY OF ANTIBACTERIAL AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO disclosed