SCHEMBL11015437

SCHEMBL11015437

[CH2]C(N)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
SLC6A3 Q01959 8/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2D6 P10635 6/20 0.45
KCNH2 Q12809 5/20 0.45
AOC3 Q16853 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL10359867 0.81 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12569123 0.81 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL3038889 0.81 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL15614046 0.81 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12568798 0.81 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL15670176 0.79 UGT2B7 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL30098228 0.79 UGT2B7 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL25434816 0.77 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL307143 0.77 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL38429 0.77 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4

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-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed