SCHEMBL7720162

SCHEMBL7720162

CSC(=C[N+](=O)[O-])NCC1CCC(CN(CC2CCCCC2)C(=O)N(C)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
EPHX1 P07099 1/20 0.39
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.34
PTGIR P43119 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7720159 1.00 ALDH1A1 (0.40) ALDH1A1MAPTEPHX1PKMPOLB
SCHEMBL7720991 0.86 PKM (0.37) ALDH1A1MAPTEPHX1PKMPOLB
SCHEMBL4511136 0.78 ALDH1A1 (0.41) ALDH1A1MAPTEPHX1POLBL3MBTL1
SCHEMBL4511130 0.78 ALDH1A1 (0.41) ALDH1A1MAPTEPHX1POLBL3MBTL1
SCHEMBL7720138 0.74 PKM (0.36) ALDH1A1MAPTEPHX1PKMPOLB
SCHEMBL5316917 0.73 PKM (0.46) ALDH1A1PKMKMT2APTGIRSMN1; SMN2
SCHEMBL5316920 0.73 PKM (0.46) ALDH1A1PKMKMT2APTGIRSMN1; SMN2
SCHEMBL7721348 0.72 PKM (0.39) EPHX1PKMKMT2APTGIRHDAC1
SCHEMBL7721339 0.70 PKM (0.39) EPHX1PKMKMT2APTGIRHDAC1
SCHEMBL23322556 0.64 PTGIR (0.65) EPHX1PTGIRSMN1; 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-6387949-B1 ANALGESICS ASTRAZENECA CANADA INC. (CA) 2002-05-14 US disclosed