SCHEMBL31429804

SCHEMBL31429804

Oc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.65
ACHE P22303 8/20 0.65
ALDH1A1 P00352 3/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CACNB4 O00305 1/20 0.65
CACNA1A O00555 1/20 0.65
SLC22A2 O15244 1/20 0.65
SLC22A1 O15245 1/20 0.65
ABCC4 O15439 1/20 0.65
CACNA1G O43497 1/20 0.65
CACNG3 O60359 1/20 0.65
CACNA1F O60840 1/20 0.65
CACNA1H O95180 1/20 0.65
APP P05067 1/20 0.65
FABP1 P07148 1/20 0.65
CHRM2 P08172 1/20 0.65

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 SCHEMBL11839224 0.80 ACHE (0.45) BCHEACHEALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL11840558 0.80 BCHE (0.49) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL30991441 0.79 ACHE (0.70) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL21561676 0.79 ACHE (0.65) BCHEACHEALDH1A1TSHRHSD17B10
Tacrine SCHEMBL29594645 0.79 ACHE (1.00) BCHEACHEALDH1A1TSHRHSD17B10
Tacrine SCHEMBL2828 0.79 ACHE (1.00) BCHEACHEALDH1A1TSHRHSD17B10
Tacrine SCHEMBL7714835 0.79 ACHE (1.00) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL527199 0.79 ACHE (0.65) BCHEACHEALDH1A1TSHRHSD17B10
Tacrine SCHEMBL29681895 0.79 ACHE (1.00) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL1337681 0.79 ACHE (0.70) BCHEACHEALDH1A1TSHRHSD17B10

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
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US disclosed