SCHEMBL5743860

SCHEMBL5743860

c1ccc(COC23CCCCC2O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 3/20 0.35
DPP4 P27487 1/20 0.35
FOXM1 Q08050 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL2128532 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL8601625 0.95 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL9133563 0.76 SLC6A2 (0.33) OPRM1
SCHEMBL9133434 0.71
SCHEMBL6903507 0.70 KMT2A (0.40) TSHR
SCHEMBL6905915 0.70 KMT2A (0.40) TSHR
SCHEMBL27896472 0.69 TRPA1 (0.38) OPRM1OPRL1DPP4
SCHEMBL21504377 0.69 SCN1A (0.40) OPRM1OPRL1DPP4TSHR
SCHEMBL7597793 0.69 POLB (0.41)
SCHEMBL10942039 0.69 TSHR (0.44) OPRM1OPRD1OPRK1OPRL1DPP4

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
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO disclosed