SCHEMBL27683049

SCHEMBL27683049

[CH2]CC(c1ccccc1)c1c[nH]c2c(CC)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
GPR84 Q9NQS5 2/20 0.41
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 5/20 0.40
MGAM O43451 3/20 0.39
SI P14410 3/20 0.39

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
SCHEMBL2071176 0.82 SLC6A4 (0.64) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL27663380 0.81 GPR84 (0.49) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL27663374 0.80 HTR2A (0.43) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2071173 0.80 SLC6A4 (0.49) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL2071174 0.80 UBE2N (0.50) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL5261217 0.80 UBE2N (0.46) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL14667574 0.77 ALDH1A1 (0.53) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL7939769 0.76 GAA (0.45) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL7952652 0.75 ALDH1A1 (0.45) UBE2NALDH1A1LMNAHTTMEN1
SCHEMBL1423207 0.75 MEN1 (0.45) UBE2NALDH1A1LMNAHTTMEN1

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
CN-1993321-A 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed