SCHEMBL4753170

SCHEMBL4753170

Brc1ccccc1N1CC[N]CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
HTR1A P08908 2/20 0.39
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.37
KEAP1 Q14145 1/20 0.35
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
ADRB1 P08588 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 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
SCHEMBL29763197 0.80 KEAP1 (0.54) MGLLHTR1AADRA1BHTR6KEAP1
SCHEMBL3975556 0.80 KEAP1 (0.54) MGLLHTR1AADRA1BHTR6KEAP1
SCHEMBL30263414 0.80 KEAP1 (0.48) MGLLHTR1AADRA1BHTR6KEAP1
SCHEMBL570340 0.80 KEAP1 (0.48) MGLLHTR1AADRA1BHTR6KEAP1
SCHEMBL3021427 0.78 KEAP1 (0.57) MGLLHTR1AADRA1BKEAP1MAPK1
SCHEMBL219341 0.77 ADRB1 (0.59) HTR1AADRA1BADRB1HTTALDH1A1
SCHEMBL1035343 0.75 GAA (0.59) MAPK1HTTGAAALDH1A1LMNA
SCHEMBL9579357 0.75 MGLL (0.39) MGLLHTR1AHTR6KEAP1DNMT1
SCHEMBL1929031 0.75 ADRA2C (0.60) HTR1AADRA1BHTR6MAPK1LMNA
SCHEMBL10677139 0.75 HTR6 (0.62) HTR1AHTR6ADRB1ALDH1A1LMNA

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed