SCHEMBL4674252

SCHEMBL4674252

c1cnc2ccc(OC3CC[N]CC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
ATM Q13315 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL5020201 0.91 ALDH1A1 (0.51) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL4674257 0.84 IKBKB (0.57) PDE3BPDE3APDE10AALDH1A1MAPT
Hydrochloric Acid SCHEMBL23360382 0.83 IKBKB (0.56) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL2439919 0.82 PDE10A (0.47) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL2439918 0.82 PDE10A (0.47) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL15551357 0.81 PDE3B (0.49) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL15551358 0.81 PDE3B (0.49) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL12903059 0.77 SLC6A4 (0.46) PDE3BPDE3APDE10A
SCHEMBL1178222 0.77 SLC6A2 (0.54) PDE3BPDE3APDE10AALDH1A1MAPT
SCHEMBL1178224 0.77 SLC6A2 (0.54) PDE3BPDE3APDE10AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed