SCHEMBL6140348

SCHEMBL6140348

[CH2]C(O)COc1cccc(CN2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.60
▸ WDR77 Q9BQA1 1/20 0.60
▸ ACE2 Q9BYF1 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL13574575 0.85 PRMT5 (0.65) PRMT5WDR77ACE2SMN1; SMN2
SCHEMBL13574574 0.85 PRMT5 (0.65) PRMT5WDR77ACE2SMN1; SMN2
SCHEMBL9866734 0.84 PRMT5 (0.64) PRMT5WDR77ACE2SMN1; SMN2
SCHEMBL10811863 0.82 PRMT5 (0.62) PRMT5WDR77ACE2SMN1; SMN2
SCHEMBL10504734 0.81 PRMT5 (0.55) PRMT5WDR77ACE2SMN1; SMN2TDP1
SCHEMBL28508095 0.80 PRMT5 (0.53) PRMT5WDR77
SCHEMBL28508097 0.80 PRMT5 (0.53) PRMT5WDR77
SCHEMBL10670904 0.79 PRMT5 (0.53) PRMT5WDR77ACE2SMN1; SMN2ALDH1A1
SCHEMBL8562745 0.79 HRH2 (0.56) SMN1; SMN2TDP1ALDH1A1
SCHEMBL13293747 0.79 HRH3 (0.59) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140066-A4 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-11-09 — — EP disclosed
EP-1140066-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-10-10 — — EP disclosed
WO-2000028988-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-25 — — WO disclosed
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