SCHEMBL11040604

SCHEMBL11040604

C[C@@]1(C(=O)O)CCCN1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.34
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 3/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL2451197 0.83 FFAR3 (0.37) FFAR3DPP4
SCHEMBL3133271 0.83 FFAR3 (0.37) FFAR3DPP4
SCHEMBL15125244 0.83 FFAR3 (0.37) FFAR3DPP4
SCHEMBL2682019 0.82 CYP3A4 (0.40) FFAR3
SCHEMBL2682021 0.82 CYP3A4 (0.40) FFAR3
SCHEMBL2682939 0.82 CYP3A4 (0.40) FFAR3
SCHEMBL29191746 0.80 FFAR3 (0.34) FFAR3
SCHEMBL29191745 0.80 FFAR3 (0.34) FFAR3
SCHEMBL28523847 0.79 DPP4 (0.33) FFAR3DPP4
SCHEMBL3959337 0.79 DPP4 (0.33) FFAR3DPP4

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-0025495-B1 LIPOPHILIC MURAMYL PEPTIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed