SCHEMBL3357415

SCHEMBL3357415

CC(C)N1CCC(n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CDC7 O00311 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
F10 P00742 1/20 0.37
VCP P55072 2/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL13537503 0.90 MEN1 (0.42) HTR7ALDH1A1KDM4ETDP1MEN1
SCHEMBL3353280 0.86 HTR7 (0.53) HTR7CDC7HTR1AHTR1DHTR1B
SCHEMBL3358021 0.83 HTR7 (0.47) HTR7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12253684 0.82 HTR7 (0.55) HTR7ALDH1A1HTR1AHTR1DHTR1B
SCHEMBL3357757 0.81 NPC1 (0.47) HTR7ALDH1A1MEN1KMT2AOPRM1
SCHEMBL3352455 0.81 HTR7 (0.45) HTR7CDC7MAPTPOLBCYP1A2
SCHEMBL3352450 0.81 HTR7 (0.45) HTR7CDC7MAPTPOLBCYP1A2
SCHEMBL3354104 0.81 DRD2 (0.60) HTR7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3353782 0.80 ALDH1A1 (0.42) HTR7ALDH1A1CDC7SLC6A4CHRNB4
SCHEMBL3359093 0.80 ALDH1A1 (0.41) HTR7ALDH1A1TDP1MEN1KMT2A

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed