SCHEMBL5222750

SCHEMBL5222750

CC1(NC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
TRPA1 O75762 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ABCB1 P08183 1/20 0.34
BACE1 P56817 5/20 0.34
CTSD P07339 3/20 0.34
MMP1 P03956 1/20 0.34
BCHE P06276 1/20 0.34
KMT2A Q03164 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL5222763 1.00 MME (0.36) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5220642 0.86 MME (0.35) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5220640 0.86 MME (0.35) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5224898 0.85 OPRM1 (0.34) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5224893 0.85 OPRM1 (0.34) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5219421 0.85 OPRM1 (0.34) TRPA1OPRM1OPRD1OPRK1ABCB1
SCHEMBL5219409 0.85 OPRM1 (0.34) TRPA1OPRM1OPRD1OPRK1ABCB1
SCHEMBL5221296 0.84 OPRM1 (0.35) MMETRPA1OPRM1OPRD1OPRK1
SCHEMBL5225992 0.84 OPRM1 (0.35) TRPA1OPRM1OPRD1OPRK1ABCB1
SCHEMBL5225985 0.84 OPRM1 (0.35) 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