SCHEMBL9851400

SCHEMBL9851400

Nc1c2c(nc3ccccc13)NCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.63
ACHE P22303 11/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 5/20 0.58
KDM4E B2RXH2 5/20 0.58
TSHR P16473 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CHRM2 P08172 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
CHRM1 P11229 2/20 0.58
SLC6A2 P23975 2/20 0.58
OPRM1 P35372 2/20 0.58
KCNH2 Q12809 2/20 0.58
CACNB4 O00305 1/20 0.58
CACNA1A O00555 1/20 0.58
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
ABCC4 O15439 1/20 0.58

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
Hydrochloric Acid SCHEMBL9851368 0.94 BCHE (0.61) BCHEACHEALDH1A1HSD17B10KDM4E
SCHEMBL3562426 0.90 ACHE (0.61) BCHEACHEALDH1A1HSD17B10KDM4E
Bromide SCHEMBL9851359 0.89 ACHE (0.59) BCHEACHEALDH1A1HSD17B10KDM4E
SCHEMBL9851355 0.81 ACHE (0.61) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL9851353 0.80 ACHE (0.62) BCHEACHEGRIN1GRIN2AKMT2A
SCHEMBL6610135 0.78 KDM4E (0.51) BCHEACHEALDH1A1HSD17B10KDM4E
SCHEMBL9851379 0.77 ACHE (0.62) BCHEACHEGRIN1GRIN2A
SCHEMBL9170669 0.76 ACHE (0.68) BCHEACHEALDH1A1HSD17B10KDM4E
SCHEMBL9165887 0.75 ACHE (0.58) BCHEACHEALDH1A1HSD17B10KDM4E
Tacrine SCHEMBL1650622 0.74 ACHE (0.93) BCHEACHEALDH1A1HSD17B10KDM4E

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-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP disclosed