SCHEMBL6471963

SCHEMBL6471963

COc1cc(N(C)C(=O)N2CCCC[C@H]2C(=O)OCCCCCCC(c2cccnc2)c2cccnc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.53
ABCC1 P33527 1/20 0.49
FKBP4 Q02790 1/20 0.49
FKBP5 Q13451 1/20 0.49

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
SCHEMBL8464222 0.87 FKBP1A (0.48) FKBP1AFKBP4FKBP5
SCHEMBL6473186 0.85 FKBP1A (0.48) FKBP1AFKBP4FKBP5
SCHEMBL6476189 0.84 FKBP1A (0.44) FKBP1AFKBP4FKBP5
SCHEMBL27486132 0.80 FKBP1A (0.49) FKBP1AFKBP4FKBP5
SCHEMBL3673585 0.80 FKBP1A (0.76) FKBP1AABCC1FKBP4FKBP5
SCHEMBL3673587 0.80 FKBP1A (0.76) FKBP1AABCC1FKBP4FKBP5
SCHEMBL27472326 0.78 FKBP1A (0.51) FKBP1AFKBP4FKBP5
SCHEMBL8465804 0.78 FKBP1A (0.53) FKBP1AFKBP4FKBP5
SCHEMBL8863748 0.74 FKBP1A (0.62) FKBP1AABCC1FKBP4FKBP5
SCHEMBL6476183 0.74 TBXAS1 (0.41) FKBP1A

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 5 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
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP claimed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 WO claimed
WO-2005007162-A1 COMPOUNDS AUGMENTING THE ACTIVITY OF ANTIBACTERIAL AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO disclosed