SCHEMBL6583221

SCHEMBL6583221

CCOC(=O)C1CN(CC2CCCCCCC2)CCC1n1c(=O)n(CC)c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.54
OPRM1 P35372 5/20 0.54
OPRK1 P41145 4/20 0.54
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.35
MCHR1 Q99705 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM2B Q8NHM5 2/20 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
SCHEMBL4919830 0.89 OPRL1 (0.69) OPRL1OPRM1OPRK1ALDH1A1KDM4E
SCHEMBL4919808 0.83 OPRL1 (0.78) OPRL1OPRM1OPRK1CNR1CCR1
SCHEMBL6586613 0.83 OPRM1 (0.43) OPRL1OPRM1OPRK1ALDH1A1
SCHEMBL6582289 0.82 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL4915220 0.77 OPRL1 (0.72) OPRL1OPRM1OPRK1
SCHEMBL4920499 0.75 OPRL1 (0.73) OPRL1OPRM1OPRK1ALDH1A1KDM4E
SCHEMBL6585417 0.75 OPRL1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL6585509 0.75 OPRL1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL6585514 0.75 OPRL1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL6585420 0.75 OPRL1 (0.51) OPRL1OPRM1OPRK1

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