SCHEMBL6586703

SCHEMBL6586703

O=C(O)C1(CC2CCCCC2)CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRM2 Q14416 1/20 0.35
EPHX1 P07099 3/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
ARG1 P05089 1/20 0.33
TBXAS1 P24557 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL11346600 1.00 CYP2C19 (0.52) CYP2C19SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL7421923 0.91 CYP2C19 (0.40) CYP2C19SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL1053596 0.87 CYP2C19 (0.45) CYP2C19LMNAARG1
SCHEMBL27206940 0.83 CYP2C19 (0.36) CYP2C19SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL23045194 0.83 CYP2C19 (0.37) CYP2C19LMNAEPHX1ARG1
SCHEMBL29953092 0.82 CYP2C19 (0.38) CYP2C19SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL10624868 0.77 CYP2C19 (0.33) CYP2C19SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL6055016 0.77 CYP2C19 (0.35) CYP2C19
SCHEMBL15437 0.76 CYP2C19 (0.33) CYP2C19
SCHEMBL10789382 0.76 CYP2C19 (0.41) CYP2C19LMNATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed