SCHEMBL22048288

SCHEMBL22048288

CN(C)Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
AKR1B1 P15121 1/20 0.41
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
PYCR1 P32322 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
SCHEMBL14451880 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3GAATAAR1
SCHEMBL13407621 0.85 GAA (0.67) GAATAAR1HTTSMN1; SMN2NPC1
SCHEMBL8388479 0.85 KDM4E (0.49) SLC6A2SLC6A4SLC6A3GAATAAR1
SCHEMBL24776450 0.75 PNMT (0.56) SLC6A2SLC6A4SLC6A3TAAR1LMNA
SCHEMBL10494821 0.73 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3TAAR1HPGD
SCHEMBL8680742 0.73 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3TAAR1PYCR1
SCHEMBL30589200 0.73 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3TAAR1PYCR1
SCHEMBL3841864 0.73 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3GAAHTT
Bromide SCHEMBL11848885 0.73 PNMT (0.54) SLC6A2SLC6A4SLC6A3TAAR1LMNA
Hydrochloric Acid SCHEMBL2098881 0.73 PNMT (0.54) SLC6A2SLC6A4SLC6A3TAAR1LMNA

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
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed