SCHEMBL6012235

SCHEMBL6012235

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.40
NEK2 P51955 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CXCR3 P49682 1/20 0.34
SLC6A9 P48067 2/20 0.34
CCR5 P51681 6/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL30239198 0.84 HSD17B10 (0.37) NEK2CXCR3
SCHEMBL6012396 0.81 DRD2 (0.44) CXCR3SLC6A9CCR5OPRM1OPRD1
SCHEMBL6613810 0.79 BDKRB2 (0.46) BDKRB2CHRM2SLC6A9CCR5OPRM1
SCHEMBL6012726 0.79 CXCR3 (0.59) CXCR3CCR5OPRM1OPRD1OPRK1
SCHEMBL6012734 0.79 OPRL1 (0.48) BDKRB2CXCR3SLC6A9CCR5OPRM1
SCHEMBL6611036 0.78 CCR5 (0.52) CHRM2CXCR3CCR5OPRM1
SCHEMBL6034619 0.77 TMEM97 (0.35) SLC6A9
SCHEMBL6614791 0.76 OPRM1 (0.42) BDKRB2CHRM3SLC6A9CCR5OPRM1
SCHEMBL6614177 0.76 CCR5 (0.57) CXCR3CCR5
SCHEMBL6613785 0.76 CCR5 (0.34) BDKRB2NEK2CCR5

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