SCHEMBL14864951

SCHEMBL14864951

COCCC[C@@H](C)CCCN

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
DDAH1 O94760 1/20 0.32
ODC1 P11926 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL26770885 0.91 LMNA (0.37) LMNADDAH1
SCHEMBL3630576 0.83
SCHEMBL18513347 0.83
SCHEMBL13304773 0.83
SCHEMBL1146663 0.82 LMNA (0.47) LMNA
SCHEMBL21398070 0.80 CYP3A4 (0.33) LMNADDAH1CYP3A4
SCHEMBL14559406 0.78 TSHR (0.40) LMNA
SCHEMBL830509 0.76 LMNA (0.50) LMNA
SCHEMBL62062 0.76
SCHEMBL2358 0.76

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-2581366-A1 Renin Inhibitors Vitae Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed