SCHEMBL6587465

SCHEMBL6587465

C#CCn1c(=O)n(C2CCN(CC3(CC)CCCCCCC3)CC2C(=O)OCC)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.40
OPRM1 P35372 12/20 0.40
OPRK1 P41145 3/20 0.40
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.34
OPRD1 P41143 2/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4918994 0.84 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4918957 0.82 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1
SCHEMBL6590145 0.80 CHRM2 (0.46) OPRL1OPRM1OPRK1KDM4EALDH1A1
SCHEMBL4919830 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1TACR1KDM4E
SCHEMBL4916510 0.75 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1
SCHEMBL8128346 0.75 OPRM1 (0.49) OPRL1OPRM1OPRK1KDM4EALDH1A1
SCHEMBL6582289 0.74 OPRL1 (0.59) OPRL1OPRM1OPRK1TACR1OPRD1
SCHEMBL4920073 0.71 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4919777 0.71 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4913219 0.70 OPRL1 (0.53) OPRL1OPRM1OPRK1TACR1

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