SCHEMBL9345633

SCHEMBL9345633

O=C(CCCO)NN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 3/20 0.38
LIPE Q05469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESRRG P62508 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2364796 0.82 GNAI3 (0.58) GNAI3GNAO1GNAI1HTTCNR1
SCHEMBL2997271 0.82 GNAI3 (0.42) GNAI3GNAO1GNAI1HTTCNR1
SCHEMBL16405435 0.80 GNAI3 (0.60) GNAI3GNAO1GNAI1CNR1CNR2
SCHEMBL16010753 0.79 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR1CNR2
SCHEMBL271765 0.79 GNAI3 (0.41) GNAI3GNAO1GNAI1HTTCNR1
SCHEMBL3974367 0.79 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR1CNR2
SCHEMBL3868277 0.79 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR1CNR2
SCHEMBL15054982 0.78 HTT (0.41) GNAI3GNAO1GNAI1HTTCNR1
SCHEMBL15055493 0.78 HTT (0.41) GNAI3GNAO1GNAI1HTTCNR1
SCHEMBL2364252 0.78 TP53 (0.50) GNAI3GNAO1GNAI1HTTCNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed