SCHEMBL6627657

SCHEMBL6627657

COc1cc(C(=O)C(=O)N2C3C=CN(CCCCc4ccccc4)C(=O)C2CCC3)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 17/20 0.51
FKBP5 Q13451 2/20 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
SCHEMBL6627612 0.86 FKBP1A (0.57) FKBP1AFKBP5
SCHEMBL6628799 0.77 FKBP5 (0.69) FKBP1AFKBP5
SCHEMBL6626844 0.73 OPRD1 (0.38) FKBP1A
SCHEMBL6624244 0.71 FKBP5 (0.70) FKBP1AFKBP5
SCHEMBL15450996 0.67 FKBP5 (0.76) FKBP1AFKBP5
SCHEMBL15436148 0.67 FKBP5 (0.69) FKBP1AFKBP5
SCHEMBL7470214 0.66 FKBP1A (0.58) FKBP1AFKBP5
SCHEMBL969334 0.65 TDP1 (0.59)
SCHEMBL13938069 0.65 FKBP1A (0.57) FKBP1AFKBP5
SCHEMBL709246 0.64 TDP1 (0.60)

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-1098897-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMA (US) 2004-06-09 EP disclosed
US-6630472-B1 Peptidyl-prolyl isomerase inhibitors PFIZER INC 2003-10-07 US disclosed
EP-1098897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-05-16 EP disclosed
WO-2000004020-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed