SCHEMBL5651438

SCHEMBL5651438

CCC(C)(NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.67
CNR1 P21554 6/20 0.64
MAPT P10636 3/20 0.61
TP53 P04637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MITF O75030 1/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
NTSR1 P30989 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.57

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
SCHEMBL29717171 0.81 CNR2 (0.73) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL5623445 0.81 CNR2 (1.00) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL5624009 0.78 CNR2 (1.00) CNR2CNR1MAPTTP53SMN1; SMN2
SCHEMBL4252422 0.77 SMN1; SMN2 (0.77) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL5625255 0.76 CNR2 (0.81) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL4258322 0.76 SMN1; SMN2 (0.82) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL14367365 0.76 KMT2A (0.70) CNR2CNR1MAPTTP53NPC1
SCHEMBL13532180 0.76 SMN1; SMN2 (1.00) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL5651435 0.76 CNR2 (0.68) CNR2CNR1MAPTTP53ALDH1A1
SCHEMBL5624373 0.76 CNR2 (0.68) CNR2CNR1MAPTTP53ALDH1A1

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
US-7297796-B2 Sulfamoyl benzamide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-11-20 US disclosed