SCHEMBL7721339

SCHEMBL7721339

CN(C(=O)N(CC1CCCCC1)CC1CCC(CNc2cccnn2)CC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM6B O15054 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
HDAC1 Q13547 1/20 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
GPR39 O43194 1/20 0.34
PTGIR P43119 1/20 0.34

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
SCHEMBL7721348 0.77 PKM (0.39) PKMKMT2AKDM4CHDAC1HDAC6
SCHEMBL5316920 0.76 PKM (0.46) PKMMEN1KMT2AOPRM1HDAC1
SCHEMBL5316917 0.76 PKM (0.46) PKMMEN1KMT2AOPRM1HDAC1
SCHEMBL7720138 0.73 PKM (0.36) PKMMEN1KMT2AHDAC1HDAC6
SCHEMBL7720991 0.70 PKM (0.37) PKMMEN1KMT2AHDAC1HDAC6
SCHEMBL7720162 0.70 ALDH1A1 (0.40) PKMKMT2AHDAC1HDAC6EPHX1
SCHEMBL7720159 0.70 ALDH1A1 (0.40) PKMKMT2AHDAC1HDAC6EPHX1
SCHEMBL14493867 0.64 PKM (0.41) PKMMEN1KMT2AOPRM1HDAC1
Hydrochloric Acid SCHEMBL5395243 0.63 IRAK4 (0.44) KDM1AMAOA
SCHEMBL17700175 0.62 GPR39 (0.56) MEN1KMT2AGPR39

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