SCHEMBL6859367

SCHEMBL6859367

COC1(c2ccc(Cl)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
SCD5 Q86SK9 1/20 0.45
KMT2A Q03164 2/20 0.45
TET3 O43151 1/20 0.45
FBXL19 Q6PCT2 1/20 0.45
CXXC5 Q7LFL8 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
CXXC4 Q9H2H0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HSD11B1 P28845 7/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 1/20 0.42

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
SCHEMBL17220377 0.86 SCD5 (0.57) SCD5KMT2ATET3FBXL19CXXC5
SCHEMBL25168805 0.83 SCD5 (0.47) DRD2SCD5KMT2AHSD11B1KDM4E
SCHEMBL558749 0.82 MEN1 (0.54) DRD2KMT2AOPRD1OPRK1SMN1; SMN2
SCHEMBL3646332 0.78 SCD5 (0.48) DRD2SCD5OPRM1OPRD1OPRK1
SCHEMBL28819411 0.78 DRD2 (0.46) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL16245128 0.78 DRD2 (0.48) DRD2KMT2ADRD4DRD3OPRM1
SCHEMBL5371462 0.78 OPRM1 (0.47) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL2229509 0.78 MEN1 (0.62) DRD2KMT2ADRD4DRD3KDM4E
SCHEMBL23706066 0.77 SCD5 (0.52) SCD5KMT2ATET3FBXL19CXXC5
SCHEMBL3931269 0.76 KMT2A (0.71) KMT2ATET3FBXL19CXXC5KDM2B

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-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed