SCHEMBL6859698

SCHEMBL6859698

CCOC(=O)OCCOC(=O)C1C=CC=C2Oc3ncccc3C(=CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)C=C21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRL1 P41146 1/20 0.33
DRD2 P14416 3/20 0.33
ADRA2A P08913 2/20 0.32
DRD4 P21917 2/20 0.32
HRH2 P25021 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA1A P35348 2/20 0.32
KCNH2 Q12809 2/20 0.32
SCN5A Q14524 2/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
CES2 O00748 1/20 0.32
SLC22A1 O15245 1/20 0.32
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32

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
SCHEMBL655073 0.95 CCR1 (0.37) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL653476 0.94 OPRM1 (0.35) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL656410 0.93 DRD2 (0.35) CCR1OPRM1OPRL1DRD2DRD4
SCHEMBL654351 0.92 CCR1 (0.35) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL654271 0.91 CCR1 (0.34) CCR1OPRM1OPRL1DRD2
SCHEMBL653005 0.89 CCR1 (0.35) CCR1OPRM1OPRL1DRD2
SCHEMBL653214 0.88 OPRM1 (0.35) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL655209 0.88 DRD2 (0.34) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL654228 0.88 OPRM1 (0.36) CCR1OPRM1OPRL1DRD2ADRA2A
SCHEMBL654382 0.88 DRD2 (0.35) CCR1OPRM1OPRL1DRD2ADRA2A

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