SCHEMBL9795295

SCHEMBL9795295

CN(C)CCNC(=O)C1(OC(=O)/C=C/C(=O)OC2(C(=O)NCCN(C)C)CCC(O[N+](=O)[O-])CC2)CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL9795506 0.89 SMN1; SMN2 (0.35) POLB
SCHEMBL9795491 0.85
SCHEMBL9795264 0.83 TPSAB1 (0.31)
SCHEMBL9795205 0.81 CYP2D6 (0.35) L3MBTL1
SCHEMBL9795421 0.81 CYP2D6 (0.35) L3MBTL1
SCHEMBL9795297 0.80
SCHEMBL9795333 0.80 L3MBTL1 (0.35) L3MBTL1POLB
SCHEMBL9795354 0.80 L3MBTL1 (0.35) L3MBTL1POLB
SCHEMBL9795174 0.78 FPR3 (0.31)
SCHEMBL9795301 0.78 TDP1 (0.39) L3MBTL1

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