SCHEMBL3239156

SCHEMBL3239156

CC(C)n1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
P2RX7 Q99572 8/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
HCAR3 P49019 1/20 0.35
CREBBP Q92793 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
SCHEMBL10325665 0.80 GRM5 (0.44) PDK2P2RX7PTGDR2
SCHEMBL28890054 0.78 PDK2 (0.41) PDK2P2RX7PTGDR2
SCHEMBL19638395 0.77 PDK2 (0.46) PDK2P2RX7PTGDR2
SCHEMBL29837289 0.77 PDK2 (0.41) PDK2P2RX7PTGDR2
SCHEMBL20793348 0.76 HRH3 (0.33)
SCHEMBL23244374 0.73 PDK2 (0.44) PDK2P2RX7PTGDR2
SCHEMBL20818245 0.73 PDK2 (0.35) PDK2P2RX7
SCHEMBL18446208 0.72 PDK2 (0.67) PDK2P2RX7PTGDR2
SCHEMBL25234139 0.71 CPB2 (0.48) PDK2P2RX7PTGDR2
SCHEMBL13506071 0.71 PTGDR2 (0.41) PDK2P2RX7PTGDR2CREBBP

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
WO-2010031789-A1 NEW COMPOUNDS I BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO disclosed