SCHEMBL6628799

SCHEMBL6628799

COc1cc(C(=O)C(=O)N2C3CCCC2C(=O)N(CCc2ccccc2)CC3)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 3/20 0.69
FKBP1A P62942 17/20 0.55
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL15450996 0.90 FKBP5 (0.76) FKBP5FKBP1A
SCHEMBL15436075 0.82 FKBP5 (1.00) FKBP5FKBP1A
SCHEMBL6624244 0.82 FKBP5 (0.70) FKBP5FKBP1A
SCHEMBL6627612 0.81 FKBP1A (0.57) FKBP5FKBP1A
SCHEMBL15436148 0.78 FKBP5 (0.69) FKBP5FKBP1A
SCHEMBL15436127 0.77 FKBP5 (0.50) FKBP5FKBP1AALDH1A1
SCHEMBL6625880 0.77 FKBP1A (0.44) FKBP5FKBP1AALDH1A1
SCHEMBL6627657 0.77 FKBP1A (0.51) FKBP5FKBP1A
SCHEMBL15436060 0.74 FKBP5 (1.00) FKBP5FKBP1A
SCHEMBL16859292 0.70 FKBP5 (0.67) FKBP5FKBP1AALDH1A1

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 2 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