SCHEMBL6583420

SCHEMBL6583420

COCOCC1(COCOC)CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.44
GAA P10253 1/20 0.43
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 4/20 0.41
CYP3A4 P08684 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MGLL Q99685 1/20 0.38
C5AR1 P21730 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL4369263 0.80 GAA (0.50) NR3C1GAACYP2D6TSHRSIGMAR1
SCHEMBL6582036 0.77 NR3C1 (0.47) NR3C1GAACYP2D6ALDH1A1TSHR
SCHEMBL28026914 0.75 GAA (0.46) NR3C1GAACYP2D6TSHRCYP3A4
Methane SCHEMBL726862 0.75 NR3C1 (0.48) NR3C1GAACYP2D6ALDH1A1TSHR
SCHEMBL653269 0.74 GAA (0.57) NR3C1GAACYP2D6TSHRSIGMAR1
SCHEMBL4562285 0.74 NR3C1 (0.44) NR3C1GAASIGMAR1MGLLMEN1
SCHEMBL14498561 0.72 GAA (0.43) NR3C1GAACYP2D6TSHRSIGMAR1
SCHEMBL19618751 0.71 OPRL1 (0.52) CYP2D6ALDH1A1TSHRCYP3A4SIGMAR1
SCHEMBL3315042 0.71 NR3C1 (0.49) NR3C1GAACYP2D6CYP3A4SIGMAR1
SCHEMBL13090069 0.71 NR3C1 (0.52) NR3C1GAACYP2D6ALDH1A1TSHR

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