SCHEMBL3356709

SCHEMBL3356709

CN1CCN(CCCn2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.79
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 1/20 0.44
KCNJ1 P48048 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12253756 0.90 HTR7 (0.71) HTR7KMT2AKCNJ1ALDH1A1MEN1
SCHEMBL12857203 0.89 HTR7 (0.69) HTR7KMT2AKCNJ1ALDH1A1MEN1
SCHEMBL7806987 0.87 HTR7 (0.60) HTR7KCNJ1ALDH1A1
SCHEMBL1122811 0.87 HTR7 (0.64) HTR7KMT2AKCNJ1ALDH1A1MEN1
SCHEMBL7804965 0.85 SIGMAR1 (0.62) HTR7P2RX7KCNJ1
SCHEMBL29167527 0.82 HTR7 (0.74) HTR7KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1121934 0.82 HTR7 (0.82) HTR7KMT2AALDH1A1MEN1
SCHEMBL17023236 0.82 HTR7 (0.59) HTR7
SCHEMBL1121912 0.81 HTR7 (0.80) HTR7KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4525372 0.81 HTR7 (0.80) HTR7KMT2AALDH1A1MEN1

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