SCHEMBL4597977

SCHEMBL4597977

CCN(c1ccccc1O)C1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.39
OPRM1 P35372 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC22A1 O15245 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB1 P08183 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
DRD4 P21917 1/20 0.38
MAOB P27338 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 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
SCHEMBL4598395 0.84 GPR119 (0.51) USP30
SCHEMBL25231259 0.79 SMO (0.36) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL6882864 0.78 KMT2A (0.43)
SCHEMBL16401971 0.75 KDM4E (0.36) OPRD1OPRM1DRD2DRD3OPRK1
SCHEMBL4716542 0.72 LMNA (0.41) OPRM1NPSR1
SCHEMBL24537266 0.72 KDM4E (0.49) USP30
SCHEMBL29744582 0.72 KDM4E (0.49) USP30
SCHEMBL23360474 0.72 FAAH (0.45) OPRD1CHRNA4
SCHEMBL4714369 0.71 OPRM1 (0.42) OPRM1NPSR1
SCHEMBL18429014 0.70 CHRM2 (0.45) OPRD1OPRM1SIGMAR1DRD2CHRM3

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed