SCHEMBL14489147

SCHEMBL14489147

C[C@H]1Cc2ccc(O)cc2[C@@H]1c1cccc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
SLC22A12 Q96S37 1/20 0.40
ESR2 Q92731 1/20 0.39
DRD2 P14416 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL14488787 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1DRD2
SCHEMBL14489288 0.80 DRD3 (0.41) DRD2
SCHEMBL13899948 0.71 OPRK1 (0.47) OPRM1OPRD1OPRK1ESR2DRD2
SCHEMBL14489310 0.71 OPRK1 (0.47) OPRM1OPRD1OPRK1ESR2DRD2
SCHEMBL29427014 0.70 DRD2 (0.59) DRD2
SCHEMBL1608042 0.70 DRD2 (0.59) DRD2
SCHEMBL14489160 0.69 OPRM1 (0.42) OPRM1SLC22A12ESR2
SCHEMBL8527088 0.69 OPRM1 (0.42) OPRM1SLC22A12ESR2
SCHEMBL14489380 0.69 DRD2 (0.40) DRD2
SCHEMBL10685365 0.69 SLC22A12 (0.72) OPRM1OPRD1OPRK1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed