SCHEMBL12445846

SCHEMBL12445846

CNC(=O)CCc1cc(NC(=O)c2cnc(/C=C\COC)cn2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 13/20 0.38
PRKCI P41743 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 3/20 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
SCHEMBL12445472 0.85 BACE1 (0.41) RAB9ABACE1
SCHEMBL12445675 0.81 BACE1 (0.49) GRM4BACE1
SCHEMBL7939939 0.77 BACE1 (0.55) GRM4PRKCIBACE1
SCHEMBL12446237 0.77 BACE1 (0.47) GRM4PRKCIRAB9ANPC1BACE1
SCHEMBL12445674 0.76 BACE1 (0.47) GRM4PRKCIBACE1
SCHEMBL7941942 0.76 SORT1 (0.41) GRM4PRKCIRAB9ANPC1BACE1
SCHEMBL12445871 0.75 BACE1 (0.47) GRM4BACE1
SCHEMBL12445874 0.74 ALDH1A1 (0.37) GRM4PRKCIRAB9ANPC1SMN1; SMN2
SCHEMBL12446239 0.71 PRKCI (0.40) PRKCIBACE1
SCHEMBL7946451 0.70 BACE1 (0.55) BACE1

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-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed