SCHEMBL5196159

SCHEMBL5196159

Cc1csc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
CYP2D6 P10635 1/20 0.63
LMNA P02545 4/20 0.62
HTT P42858 3/20 0.62
GAA P10253 1/20 0.62
DRD2 P14416 7/20 0.60
DRD4 P21917 6/20 0.60
DRD3 P35462 6/20 0.60
HTR6 P50406 1/20 0.60
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 1/20 0.55
JAK2 O60674 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL5199212 0.82 DRD4 (0.65) CYP2D6LMNADRD2DRD4DRD3
SCHEMBL14281102 0.79 DRD4 (0.80) BCHECYP2D6LMNAHTTGAA
SCHEMBL5198142 0.78 LMNA (0.70) BCHECYP2D6LMNAHTTGAA
SCHEMBL5196484 0.76 BCHE (0.66) BCHECYP2D6LMNAHTTGAA
SCHEMBL948662 0.76 HTR6 (1.00) BCHECYP2D6LMNAHTTGAA
Hydrochloric Acid SCHEMBL28260331 0.74 HTR6 (0.97) BCHECYP2D6LMNAHTTGAA
SCHEMBL10463380 0.74 LMNA (0.97) BCHECYP2D6LMNAHTTGAA
SCHEMBL1849016 0.74 LMNA (0.90) BCHECYP2D6LMNAHTTGAA
SCHEMBL11838124 0.73 BCHE (0.84) BCHECYP2D6LMNAHTTGAA
SCHEMBL8789790 0.72 LMNA (1.00) BCHECYP2D6LMNAHTTGAA

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