SCHEMBL9795243

SCHEMBL9795243

O=C(O)CC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
GSR P00390 9/20 0.38
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
CA2 P00918 3/20 0.33
ACSL1 P33121 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL28921029 0.77
SCHEMBL8957333 0.77 GSR (0.50) GSRCA2MAPTALDH1A1
SCHEMBL28654963 0.76 ANPEP (0.43) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL13245814 0.76 ANPEP (0.43) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL9795057 0.75 EPHX2 (0.33) GSR
SCHEMBL23927596 0.75 GSR (0.42) GSRGABRA5GABRB2GABRA1GABRA4
SCHEMBL2012678 0.75 GSR (0.42) GSRGABRA5GABRB2GABRA1GABRA4
SCHEMBL11059646 0.75 GSR (0.38) GSRCA2MAPTALDH1A1
SCHEMBL9019578 0.75 GSR (0.38) GSRCA2MAPTALDH1A1
SCHEMBL24483431 0.74 ANPEP (0.56) ANPEPENPEPSLC6A1GABRA5GABRB2

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed