SCHEMBL3358021

SCHEMBL3358021

CCN1CCC(n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
ACHE P22303 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 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

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
SCHEMBL3354104 0.91 DRD2 (0.60) HTR7DRD2SLC6A4CYP1A2KMT2A
SCHEMBL3353280 0.86 HTR7 (0.53) HTR7DRD2SLC6A4MAPTACHE
SCHEMBL3354826 0.85 HTR7 (0.48) HTR7DRD2SLC6A4KMT2AALDH1A1
SCHEMBL7805698 0.85 HTR7 (0.45) HTR7DRD2SLC6A4ALDH1A1MAPT
SCHEMBL7798214 0.84 ACHE (0.59) DRD2KMT2AMAPTACHEPKM
SCHEMBL3355827 0.84 HTR7 (0.42) HTR7DRD2SLC6A4ALDH1A1ACHE
SCHEMBL3354706 0.83 ALDH1A1 (0.44) HTR7DRD2SLC6A4KMT2AALDH1A1
SCHEMBL3353063 0.83 HTR7 (0.42) HTR7DRD2SLC6A4KMT2AALDH1A1
SCHEMBL3354101 0.83 L3MBTL1 (0.48) HTR7KMT2AALDH1A1PKMLMNA
SCHEMBL3357415 0.83 HTR7 (0.42) HTR7DRD2SLC6A4CYP1A2KMT2A

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