SCHEMBL7721348

SCHEMBL7721348

CN(C(=O)N(CC1CCCCC1)CC1CCC(CNc2cccc[n+]2[O-])CC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MAOA P21397 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
PTGIR P43119 1/20 0.34
PPARG P37231 1/20 0.33
SLC6A2 P23975 1/20 0.33
AGTR2 P50052 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
NPY5R Q15761 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL7721339 0.77 PKM (0.39) PKMHDAC1HDAC6KDM1ARCOR1
SCHEMBL5316917 0.76 PKM (0.46) PKMHDAC1HDAC6PTGIRAGTR2
SCHEMBL5316920 0.76 PKM (0.46) PKMHDAC1HDAC6PTGIRAGTR2
SCHEMBL7720138 0.75 PKM (0.36) PKMHDAC1HDAC6KDM1ARCOR1
SCHEMBL7720991 0.72 PKM (0.37) PKMHDAC1HDAC6KDM1ARCOR1
SCHEMBL7720159 0.72 ALDH1A1 (0.40) PKMHDAC1HDAC6EPHX1PTGIR
SCHEMBL7720162 0.72 ALDH1A1 (0.40) PKMHDAC1HDAC6EPHX1PTGIR
SCHEMBL14493867 0.64 PKM (0.41) PKMHDAC1HDAC6PTGIRAGTR2
SCHEMBL4067618 0.62 PKM (0.51) PKMEPHX1AGTR2NPY5RKMT2A
SCHEMBL11282486 0.61 ATM (0.56) PKMKMT2A

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