SCHEMBL6014238

SCHEMBL6014238

CN(C(N)=O)C1CCCCC1.O=C(O)c1cnc2cc3c(cc2c1)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
BACE1 P56817 1/20 0.35
MGAM O43451 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HPGDS O60760 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6014252 0.87 TRPM8 (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6014289 0.87 TRPM8 (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
Urea SCHEMBL6016094 0.81 MGAM (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6014290 0.81 NPC1 (0.46) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL5553780 0.80 MGAM (0.51) NPC1RAB9AALDH1A1MEN1KMT2A
Hydrogen Sulfide SCHEMBL28775857 0.79 MGAM (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL19020851 0.72 MGAM (0.51) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL6014285 0.72 TRPM8 (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20799483 0.68 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL967457 0.67 FAAH (0.48) NPC1RAB9APOLBALDH1A1HPGD

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
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed