SCHEMBL4394338

SCHEMBL4394338

C[C@@H]1CN(CCN2CC[CH]CC2C(N)=O)C[C@H](C)[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 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
SCHEMBL2762427 0.86 SMN1; SMN2 (0.33)
SCHEMBL2761806 0.81 HTT (0.42)
SCHEMBL2761900 0.80 SMN1; SMN2 (0.35)
SCHEMBL2761794 0.79 L3MBTL1 (0.42)
SCHEMBL2761703 0.79 L3MBTL1 (0.42)
SCHEMBL2762015 0.78 ALDH1A1 (0.36)
SCHEMBL2762110 0.78 ALDH1A1 (0.36)
SCHEMBL2762057 0.78 ALDH1A1 (0.36)
SCHEMBL3963948 0.77 SMN1; SMN2 (0.36)
SCHEMBL2762214 0.76 MAOA (0.34)

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed