SCHEMBL8035153

SCHEMBL8035153

CCCCCCNC(=O)N(C)C(=O)c1c(Cl)cc(OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
EGFR P00533 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MGLL Q99685 1/20 0.37
TBXA2R P21731 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
SCHEMBL8041625 0.92 EGFR (0.35) TRPV1EGFR
SCHEMBL8037400 0.90 TRPV1 (0.40) TRPV1HTR1AHTR2CHTR2ASLC6A4
SCHEMBL8038161 0.88 ERN1 (0.38) TRPV1EGFR
SCHEMBL8041338 0.86 KMT2A (0.45) EGFR
SCHEMBL8040095 0.82 ERN1 (0.37)
SCHEMBL8041330 0.82 G6PD (0.34) EGFR
SCHEMBL8028100 0.80 L3MBTL1 (0.35) TRPV1
SCHEMBL8035729 0.79 PTPN1 (0.37)
SCHEMBL8038459 0.78 TRPV1 (0.39) TRPV1EGFRMGLLTBXA2R
SCHEMBL8025578 0.78 TRPV1 (0.36) TRPV1

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
WO-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed