SCHEMBL2653739

SCHEMBL2653739

Cc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCC(C(=O)O)CC2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.40
CHKA P35790 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL998383 0.93 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL2606342 0.91 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL1002459 0.87 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL2650060 0.87 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL1000101 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL10273437 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL999488 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL998853 0.85 RAB9A (0.63) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL999351 0.85 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL999526 0.84 RAB9A (0.50) SMN1; SMN2RAB9ANPC1GAAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed