SCHEMBL6012396

SCHEMBL6012396

CCCN1C(=O)CNC(=O)C12CCN(c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
OPRM1 P35372 6/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
OPRL1 P41146 6/20 0.42
CXCR3 P49682 1/20 0.41
SLC6A9 P48067 3/20 0.40
ALDH1A1 P00352 1/20 0.38
CCR5 P51681 2/20 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
SCHEMBL6612492 0.86 HTR1A (0.46) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6012562 0.84 OPRL1 (0.52) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6012726 0.83 CXCR3 (0.59) OPRM1OPRD1OPRK1OPRL1CXCR3
SCHEMBL6611549 0.82 OPRM1 (0.45) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6611036 0.82 CCR5 (0.52) SIGMAR1OPRM1CXCR3CCR5
SCHEMBL6012235 0.81 BDKRB2 (0.40) OPRM1OPRD1OPRK1OPRL1CXCR3
SCHEMBL6034619 0.81 TMEM97 (0.35) DRD2SIGMAR1SLC6A9ALDH1A1
SCHEMBL6612342 0.81 CCR5 (0.43) DRD2SIGMAR1OPRM1SLC6A9ALDH1A1
SCHEMBL6614177 0.80 CCR5 (0.57) SIGMAR1CXCR3CCR5
SCHEMBL6615208 0.79 CCR5 (0.61) SIGMAR1OPRM1CXCR3CCR5

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
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed