SCHEMBL11829520

SCHEMBL11829520

CCOC(=O)NNC1=Nc2sc(CC)cc2C(c2ccccc2Cl)=NC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTAFR P25105 7/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.37
GRM6 O15303 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL11831630 0.88 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2AHPGD
SCHEMBL11831027 0.85 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2AHPGD
SCHEMBL11824366 0.83 OPRK1 (0.51) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928409 0.80 OPRK1 (0.52) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL11870422 0.79 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL11508083 0.77 PTAFR (0.36) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL11508751 0.76 PTAFR (0.34) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL11829171 0.74 MAPT (0.38) OPRK1PDE4DMEN1KMT2AHPGD
SCHEMBL11507700 0.73 ALDH1A1 (0.36) OPRK1PDE4DMEN1KMT2AHPGD
SCHEMBL11508144 0.70 GABRA1 (0.33) OPRK1PDE4DMEN1KMT2ASMN1; SMN2

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
US-3965111-A TRIQUALIZER, SLEEP INDUCER, ANTIELEPTIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1976-06-22 US disclosed