SCHEMBL9799548

SCHEMBL9799548

CN1CCCCC1C(=O)NC(C)(C)CO[N+](=O)[O-].O=C(NCCCO[N+](=O)[O-])C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.41
TLR2 O60603 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HTR2C P28335 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
SCHEMBL9345022 0.82 POLB (0.38) SMN1; SMN2KMT2APOLB
SCHEMBL9344131 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2APOLBTSHR
SCHEMBL9348697 0.80 PRCP (0.57) PRCPTLR2HTR2C
SCHEMBL13396336 0.77 PRCP (0.59) PRCPTLR2HDAC8HTR2C
Fumaric Acid SCHEMBL9344148 0.69 FKBP1A (0.35) SMN1; SMN2KMT2APOLBTSHR
Fumaric Acid SCHEMBL9344920 0.68 PRCP (0.46) PRCPTLR2SMN1; SMN2KMT2AHTR2C
SCHEMBL9329979 0.67 THRB (0.30)
SCHEMBL9332542 0.67 BCHE (0.37) SMN1; SMN2KMT2APOLB
SCHEMBL9346142 0.65 POLB (0.39) SMN1; SMN2KMT2APOLBTSHR
SCHEMBL9330739 0.65 BCHE (0.38) PRCPSMN1; SMN2

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-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed