SCHEMBL2045762

SCHEMBL2045762

CC1c2cc(O)ccc2CC(CC(=O)O)C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRD1 P41143 3/20 0.43
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
ITGAV P06756 1/20 0.37
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LMNA P02545 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
SCHEMBL2050706 1.00 OPRM1 (0.43) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL4672395 0.82 ITGB3 (0.40) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL981047 0.82 ITGB3 (0.40) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL3408615 0.79 ESR1 (0.45) OPRM1OPRK1OPRD1CYP2D6TSHR
SCHEMBL2786598 0.78 ITGB3 (0.52) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL2786534 0.78 ITGB3 (0.52) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL2046087 0.75 OPRM1 (0.40) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL2048375 0.75 OPRM1 (0.40) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL2045113 0.75 OPRM1 (0.40) OPRM1OPRK1OPRD1ITGB3ITGA2B
SCHEMBL538079 0.72 ITGB3 (0.39) OPRM1OPRK1OPRD1ITGB3ITGA2B

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
EP-2329821-A1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GlaxoSmithKline LLC (US) 2011-06-08 EP disclosed