SCHEMBL7297465

SCHEMBL7297465

COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
F2 P00734 3/20 0.43
ABCB1 P08183 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
DRD4 P21917 1/20 0.42
FKBP1A P62942 1/20 0.41
ACE P12821 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL7297472 1.00 PREP (0.48) PREPKMT2AMEN1F2ABCB1
SCHEMBL7305931 0.93 PREP (0.48) PREPF2ABCB1ACEDPP4
SCHEMBL7305938 0.93 PREP (0.48) PREPF2ABCB1ACEDPP4
SCHEMBL9097367 0.92 ACE (0.49) PREPF2TSHRACE
SCHEMBL9097372 0.92 ACE (0.49) PREPF2TSHRACE
SCHEMBL9097297 0.91 F2 (0.49) PREPF2ABCB1DRD4FKBP1A
SCHEMBL9097291 0.91 F2 (0.49) PREPF2ABCB1DRD4FKBP1A
SCHEMBL9098707 0.88 CPT1A (0.52) PREP
SCHEMBL9098714 0.88 CPT1A (0.52) PREP
SCHEMBL7305856 0.85 PREP (0.68) PREPKMT2AMEN1ALDH1A1TSHR

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
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed