SCHEMBL5230723

SCHEMBL5230723

NC(CO)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
DPP4 P27487 1/20 0.40
HTR2A P28223 1/20 0.39
SLC6A2 P23975 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
IDO1 P14902 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 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
SCHEMBL5230730 1.00 SLC6A4 (0.44) SLC6A4DPP4HTR2ASLC6A2CYP3A4
SCHEMBL28662199 0.85 IDO1 (0.47) SLC6A4DPP4CYP3A4HTTIDO1
SCHEMBL2520231 0.85 IDO1 (0.47) SLC6A4DPP4CYP3A4HTTIDO1
SCHEMBL2520228 0.85 IDO1 (0.47) SLC6A4DPP4CYP3A4HTTIDO1
Hydrochloric Acid SCHEMBL17045274 0.84 IDO1 (0.49) SLC6A4CYP3A4HTTIDO1
SCHEMBL8886789 0.81 IDO1 (0.41) SLC6A4DPP4SLC6A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL11695321 0.77 HTR2A (0.45) SLC6A4HTR2AIDO1ALDH1A1
SCHEMBL3128931 0.77 PNMT (0.48) SLC6A4DPP4SLC6A2CYP3A4LMNA
SCHEMBL13692464 0.77 HTR2A (0.54) SLC6A4HTR2ASLC6A2LMNAHTT
SCHEMBL5181445 0.77 PNMT (0.48) SLC6A4DPP4SLC6A2CYP3A4LMNA

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-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 EP disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP disclosed