SCHEMBL5734895

SCHEMBL5734895

c1ccc(-c2noc(-c3ccccc3N3CCNCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.61
HTR1A P08908 2/20 0.61
HTR2A P28223 1/20 0.61
HTR5A P47898 1/20 0.61
HTR6 P50406 1/20 0.61
GPR55 Q9Y2T6 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
NFKB1 P19838 3/20 0.51
MAPK1 P28482 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
CHUK O15111 1/20 0.51

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
SCHEMBL7961623 0.84 MAPT (0.62) GPR55SMN1; SMN2MAPTNFKB1MAPK1
SCHEMBL7966843 0.80 CYP2D6 (0.63) HTR1AGPR55SMN1; SMN2MAPTNFKB1
SCHEMBL17115053 0.79 FAAH (0.48) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL3759275 0.77 HTR7 (1.00) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL30022433 0.77 HTR7 (1.00) HTR7HTR1AHTR2AHTR5AHTR6
Hydrochloric Acid SCHEMBL1673713 0.76 HTR7 (0.96) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL5736286 0.73 MAPT (0.53) GPR55SMN1; SMN2MAPTNFKB1MAPK1
SCHEMBL2244692 0.73 ALDH1A1 (0.51) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL12083807 0.72 SMN1; SMN2 (0.60) GPR55SMN1; SMN2MAPTNFKB1MAPK1
Hydrochloric Acid SCHEMBL2247573 0.71 ALDH1A1 (0.50) HTR7HTR1AHTR2AHTR5AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934288-B1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-04 EP disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed
EP-0934288-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-08-11 EP disclosed
WO-1998017652-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-04-30 WO disclosed