SCHEMBL2606364

SCHEMBL2606364

Bc1cnc(NC(=O)N(C2CCOCC2)C2CCC(C)CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 2/20 0.35
GCK P35557 8/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
UCHL1 P09936 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL2606368 0.93 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL2606370 0.90 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL2606472 0.88 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL2606356 0.88 S1PR3 (0.40) L3MBTL1CNR2GCKSMN1; SMN2RAB9A
SCHEMBL1000101 0.87 SMN1; SMN2 (0.48) ALDH1A1GCKSMN1; SMN2RAB9ANPC1
SCHEMBL999977 0.86 FPR2 (0.40) SMN1; SMN2RAB9ANPC1
SCHEMBL999595 0.86 GCK (0.40) GCK
SCHEMBL2606337 0.80 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1GAA
SCHEMBL998812 0.80 CDK2 (0.39)
SCHEMBL998383 0.79 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1GAA

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-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed