SCHEMBL4552269

SCHEMBL4552269

CCCCC1(c2ccccc2)CNC(=O)N1C1CCN(C2(C)CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
OPRM1 P35372 9/20 0.32
OPRK1 P41145 4/20 0.32
OPRL1 P41146 4/20 0.32
OPRD1 P41143 2/20 0.32
OGFRL1 Q5TC84 2/20 0.32
SLC6A9 P48067 2/20 0.32
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
CCR5 P51681 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL4429230 0.86 MMP2 (0.35) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL4552557 0.78 OPRM1 (0.34) CHRM4CHRM5CHRM1OPRM1OPRK1
Hydrochloric Acid SCHEMBL8413869 0.71 OPRM1 (0.35) OPRM1OPRL1
SCHEMBL4596592 0.66 MMP13 (0.36) OPRM1OPRL1CHRM2CHRM3
SCHEMBL4597523 0.65 NPSR1 (0.32) CHRM3
SCHEMBL5179386 0.63 GRIN1 (0.38) OPRM1CHRM2CHRM3
SCHEMBL10062784 0.63 CHRM2 (0.57) CHRM4CHRM5CHRM1OPRM1OPRK1
SCHEMBL4552097 0.63 CCR5 (0.41) CHRM4CHRM5CHRM1OPRM1OPRK1
SCHEMBL4551935 0.63 CCR5 (0.56) CCR5
SCHEMBL5266493 0.62 TACR1 (0.55) OPRM1OPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed