SCHEMBL5198142

SCHEMBL5198142

Cc1sccc1N1CCN(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
HTT P42858 3/20 0.70
GAA P10253 1/20 0.70
HTR6 P50406 1/20 0.64
BCHE P06276 1/20 0.64
CYP2D6 P10635 1/20 0.64
DRD2 P14416 7/20 0.62
DRD4 P21917 6/20 0.62
DRD3 P35462 6/20 0.62
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
JAK2 O60674 1/20 0.55
RAB9A P51151 1/20 0.55
GLA P06280 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5198304 0.82 DRD4 (0.66) LMNAHTR6CYP2D6DRD2DRD4
SCHEMBL948662 0.79 HTR6 (1.00) LMNAHTTGAAHTR6BCHE
Hydrochloric Acid SCHEMBL28260331 0.78 HTR6 (0.97) LMNAHTTGAAHTR6BCHE
SCHEMBL5196159 0.78 BCHE (0.63) LMNAHTTGAAHTR6BCHE
SCHEMBL14281102 0.78 DRD4 (0.80) LMNAHTTGAAHTR6BCHE
SCHEMBL5198132 0.77 LMNA (0.72) LMNAHTTGAAHTR6BCHE
SCHEMBL949387 0.77 DRD2 (0.79) LMNAHTTGAAHTR6BCHE
SCHEMBL1787164 0.75 DRD4 (1.00) LMNAHTTGAAHTR6BCHE
SCHEMBL10463380 0.74 LMNA (0.97) LMNAHTTGAAHTR6BCHE
SCHEMBL1849016 0.74 LMNA (0.90) LMNAHTTGAAHTR6BCHE

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-1815866-A1 REMEDY OR PREVENTIVE FOR ISCHEMIC CARDIAC DISEASE OR ISCHEMIC CARDIAC MYOPATHY Neugen Pharma, Inc (JP) 2007-08-08 EP disclosed