SCHEMBL3666543

SCHEMBL3666543

COc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCCC3CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.41
KDM4C Q9H3R0 5/20 0.37
NR3C1 P04150 1/20 0.34
TXNRD1 Q16881 2/20 0.34
HTR2C P28335 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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
SCHEMBL3666540 0.85 TXNRD1 (0.35) HTR6KDM4CNR3C1TXNRD1
SCHEMBL17378828 0.84 HTR6 (0.45) HTR6KDM4C
SCHEMBL3027641 0.83 KDM4C (0.39) HTR6KDM4CNR3C1TXNRD1
SCHEMBL3027646 0.83 KDM4C (0.39) HTR6KDM4CNR3C1TXNRD1
SCHEMBL3665118 0.81 POLB (0.34) HTR6KDM4CTXNRD1
SCHEMBL3020688 0.81 KDM4C (0.38) HTR6KDM4C
SCHEMBL17378740 0.78 HTR6 (0.44) HTR6KDM4C
SCHEMBL17378765 0.77 HTR6 (0.46) HTR6KDM4C
SCHEMBL3665116 0.77 TXNRD1 (0.34) TXNRD1
SCHEMBL17361995 0.76 HTR6 (0.48) HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed