SCHEMBL5220642

SCHEMBL5220642

CCC1(NC[C@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
BACE1 P56817 5/20 0.35
CTSD P07339 4/20 0.35
MMP1 P03956 1/20 0.34
TRPA1 O75762 1/20 0.34
CETP P11597 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL5220640 1.00 MME (0.35) MMEBACE1CTSDMMP1TRPA1
SCHEMBL5224898 0.97 OPRM1 (0.34) MMEBACE1CTSDTRPA1OPRM1
SCHEMBL5224893 0.97 OPRM1 (0.34) MMEBACE1CTSDTRPA1OPRM1
SCHEMBL5225992 0.95 OPRM1 (0.35) BACE1TRPA1OPRM1OPRD1OPRK1
SCHEMBL5225985 0.95 OPRM1 (0.35) BACE1TRPA1OPRM1OPRD1OPRK1
SCHEMBL5222750 0.86 MME (0.36) MMEBACE1CTSDMMP1TRPA1
SCHEMBL5222763 0.86 MME (0.36) MMEBACE1CTSDMMP1TRPA1
SCHEMBL5220129 0.84 PSEN1 (0.35) BACE1TRPA1OPRM1OPRD1OPRK1
SCHEMBL5220125 0.84 PSEN1 (0.35) BACE1TRPA1OPRM1OPRD1OPRK1
SCHEMBL5223629 0.82 PSEN1 (0.36) TRPA1OPRM1OPRD1OPRK1ABCB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed